(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine

C17H29N3 — CID 163530954

IUPAC(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)C1CC(NC2=NC[C@H](C)C[C@@H]2C)=CC=C1CN
InChIInChI=1S/C17H29N3/c1-11(2)16-8-15(6-5-14(16)9-18)20-17-13(4)7-12(3)10-19-17/h5-6,11-13,16H,7-10,18H2,1-4H3,(H,19,20)/t12-,13+,16?/m1/s1
InChIKeyDSYLSTAQYNWVMT-IMSGDLLMSA-N
MW275.44 g/mol
LogP3.10
Rot. Bonds3

About (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine

(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 163530954) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID163530954
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)C1CC(NC2=NC[C@H](C)C[C@@H]2C)=CC=C1CN
InChIInChI=1S/C17H29N3/c1-11(2)16-8-15(6-5-14(16)9-18)20-17-13(4)7-12(3)10-19-17/h5-6,11-13,16H,7-10,18H2,1-4H3,(H,19,20)/t12-,13+,16?/m1/s1
InChIKeyDSYLSTAQYNWVMT-IMSGDLLMSA-N
XLogP3.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-2-(1-aminoethenyl)-N'-(aminomethyl)-4-fluoro-N-(2-methylimino-3-prop-1-en-2-yl-3,4-dihydro-1H-pyridin-5-yl)pent-2-enimidamide
CID 173739569
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
9-(2-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[d]pyrimidine
CID 90705010
5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine
CID 90950644
N'-methyl-N-[2-(methylideneamino)-2-(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)ethenyl]butanimidamide
CID 123663052
N-ethyl-7-[(2Z,4E,6E)-10-methylundeca-2,4,6-trien-4-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132038569
3-ethyl-N,4,6-trimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137119405
N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine
CID 137428267
N-ethyl-6-methyl-1,2,4a,5-tetrahydroquinazolin-4-amine
CID 137428287
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
CID 142187236
2-(1,2,3,6-tetrahydropyridin-3-yl)-3a,4,6a,9b-tetrahydro-1H-perimidine
CID 143088257

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine (CID 163530954) is (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine is CC(C)C1CC(NC2=NC[C@H](C)C[C@@H]2C)=CC=C1CN.
What is the InChIKey of (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is DSYLSTAQYNWVMT-IMSGDLLMSA-N. The full InChI is InChI=1S/C17H29N3/c1-11(2)16-8-15(6-5-14(16)9-18)20-17-13(4)7-12(3)10-19-17/h5-6,11-13,16H,7-10,18H2,1-4H3,(H,19,20)/t12-,13+,16?/m1/s1.
What are the key properties of (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 275.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 163530954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).