(Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine

C19H29N3 — CID 122591929

IUPAC(Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine
SMILESCC/C=C(\CN)C(/C=C(\N)C1CCCc2ccccc21)NC
InChIInChI=1S/C19H29N3/c1-3-7-15(13-20)19(22-2)12-18(21)17-11-6-9-14-8-4-5-10-16(14)17/h4-5,7-8,10,12,17,19,22H,3,6,9,11,13,20-21H2,1-2H3/b15-7+,18-12-
InChIKeyIDVFYZWBAPYUHI-HVWYQZKLSA-N
MW299.46 g/mol
LogP2.83
Rot. Bonds6

About (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine

(Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine (PubChem CID 122591929) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine.

Molecular Properties

Compound Name(Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine
PubChem CID122591929
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name(Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine
SMILESCC/C=C(\CN)C(/C=C(\N)C1CCCc2ccccc21)NC
InChIInChI=1S/C19H29N3/c1-3-7-15(13-20)19(22-2)12-18(21)17-11-6-9-14-8-4-5-10-16(14)17/h4-5,7-8,10,12,17,19,22H,3,6,9,11,13,20-21H2,1-2H3/b15-7+,18-12-
InChIKeyIDVFYZWBAPYUHI-HVWYQZKLSA-N
XLogP2.83
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
1,2,3,4-tetrahydronaphthalene-1-carboximidamide;hydrochloride
CID 71755662
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63754765
N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine?
The IUPAC name of (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine (CID 122591929) is (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine.
What is the SMILES notation for (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine?
The canonical SMILES for (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine is CC/C=C(\CN)C(/C=C(\N)C1CCCc2ccccc21)NC.
What is the InChIKey of (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine?
The InChIKey is IDVFYZWBAPYUHI-HVWYQZKLSA-N. The full InChI is InChI=1S/C19H29N3/c1-3-7-15(13-20)19(22-2)12-18(21)17-11-6-9-14-8-4-5-10-16(14)17/h4-5,7-8,10,12,17,19,22H,3,6,9,11,13,20-21H2,1-2H3/b15-7+,18-12-.
What are the key properties of (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine?
(Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine has a molecular weight of 299.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-3-N-methyl-4-propylidene-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-1-ene-1,3,5-triamine is sourced from PubChem (CID 122591929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).