(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine

C17H28N4 — CID 143852059

IUPAC(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine
SMILESCC(C)N(C)C1=CC=C2NCC/C(=C\C3CNCN3)C2C1
InChIInChI=1S/C17H28N4/c1-12(2)21(3)15-4-5-17-16(9-15)13(6-7-19-17)8-14-10-18-11-20-14/h4-5,8,12,14,16,18-20H,6-7,9-11H2,1-3H3/b13-8+
InChIKeySSWBQIJRKPLXGE-MDWZMJQESA-N
MW288.44 g/mol
LogP1.55
Rot. Bonds3

About (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine

(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine (PubChem CID 143852059) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine.

Molecular Properties

Compound Name(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine
PubChem CID143852059
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine
SMILESCC(C)N(C)C1=CC=C2NCC/C(=C\C3CNCN3)C2C1
InChIInChI=1S/C17H28N4/c1-12(2)21(3)15-4-5-17-16(9-15)13(6-7-19-17)8-14-10-18-11-20-14/h4-5,8,12,14,16,18-20H,6-7,9-11H2,1-3H3/b13-8+
InChIKeySSWBQIJRKPLXGE-MDWZMJQESA-N
XLogP1.55
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium
CID 156732508
N-(cyclohex-2-en-1-ylmethyl)-N-[[3-(1,2-dihydropyridin-4-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-yl]methyl]butan-1-amine
CID 164168380
1-[(2Z,4E)-1-[[(1R)-1-(3-amino-2-methylcyclohexa-2,4-dien-1-yl)ethyl]amino]-5-fluorohexa-2,4-dien-3-yl]-N-methylimidazolidin-2-amine
CID 172239173
4-[(3S)-3-aminopiperidin-1-yl]-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-2-amine
CID 156732509
1-cyclohexa-1,5-dien-1-yl-N-[(4-methylcyclohex-3-en-1-yl)methyl]pyrrolidin-3-amine
CID 70191024
1-ethyl-1-[(4E)-4-(imidazolidin-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-3-methylurea
CID 70989798
1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea
CID 70989828
2-amino-2,3,4,4a,5,5a,7,8-octahydro-1H-pyrido[2,3-g]quinazoline-6-carbonitrile
CID 88706912
N'-[[5-(cyclohexa-2,4-dien-1-ylamino)-2,3,4b,5-tetrahydrocarbazol-9-yl]methyl]-1-cyclohex-2-en-1-yl-N,N'-dimethylmethanediamine
CID 89531160
3,9-Bis(prop-2-enyl)-1,2,9a,9b-tetrahydroperimidine
CID 89636944
N,1-dimethyl-N-[(4E,6E)-7-piperidin-4-ylnona-4,6,8-trien-4-yl]-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-6-amine
CID 89748414
(2S)-2-[(2R)-2-(dimethylamino)-1,2,3,4-tetrahydropyridin-5-yl]-N,N-dimethyl-1,2,3,4,4a,5-hexahydroquinolin-6-amine
CID 89789336

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine?
The IUPAC name of (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine (CID 143852059) is (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine.
What is the SMILES notation for (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine?
The canonical SMILES for (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine is CC(C)N(C)C1=CC=C2NCC/C(=C\C3CNCN3)C2C1.
What is the InChIKey of (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine?
The InChIKey is SSWBQIJRKPLXGE-MDWZMJQESA-N. The full InChI is InChI=1S/C17H28N4/c1-12(2)21(3)15-4-5-17-16(9-15)13(6-7-19-17)8-14-10-18-11-20-14/h4-5,8,12,14,16,18-20H,6-7,9-11H2,1-3H3/b13-8+.
What are the key properties of (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine?
(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine has a molecular weight of 288.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine is sourced from PubChem (CID 143852059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).