6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine

C16H29N3 — CID 156551954

IUPAC6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
SMILES[H]/N=C/CCCC(CNC)CC1=C(CCC)CCC=N1
InChIInChI=1S/C16H29N3/c1-3-7-15-9-6-11-19-16(15)12-14(13-18-2)8-4-5-10-17/h10-11,14,17-18H,3-9,12-13H2,1-2H3/b17-10+
InChIKeyPWLPEIOUSSJXKE-LICLKQGHSA-N
MW263.43 g/mol
LogP3.95
Rot. Bonds10

About 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine

6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine (PubChem CID 156551954) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
PubChem CID156551954
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
SMILES[H]/N=C/CCCC(CNC)CC1=C(CCC)CCC=N1
InChIInChI=1S/C16H29N3/c1-3-7-15-9-6-11-19-16(15)12-14(13-18-2)8-4-5-10-17/h10-11,14,17-18H,3-9,12-13H2,1-2H3/b17-10+
InChIKeyPWLPEIOUSSJXKE-LICLKQGHSA-N
XLogP3.95
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
The IUPAC name of 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine (CID 156551954) is 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine.
What is the SMILES notation for 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
The canonical SMILES for 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine is [H]/N=C/CCCC(CNC)CC1=C(CCC)CCC=N1.
What is the InChIKey of 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
The InChIKey is PWLPEIOUSSJXKE-LICLKQGHSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-7-15-9-6-11-19-16(15)12-14(13-18-2)8-4-5-10-17/h10-11,14,17-18H,3-9,12-13H2,1-2H3/b17-10+.
What are the key properties of 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine is sourced from PubChem (CID 156551954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).