N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine

C18H31N3 — CID 79234189

IUPACN-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine
SMILESCCCNc1cccc(CN2CCCC(CCC)CC2)n1
InChIInChI=1S/C18H31N3/c1-3-7-16-8-6-13-21(14-11-16)15-17-9-5-10-18(20-17)19-12-4-2/h5,9-10,16H,3-4,6-8,11-15H2,1-2H3,(H,19,20)
InChIKeyBANGWPLCZHWBEI-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.31
Rot. Bonds7

About N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine

N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine (PubChem CID 79234189) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine
PubChem CID79234189
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine
SMILESCCCNc1cccc(CN2CCCC(CCC)CC2)n1
InChIInChI=1S/C18H31N3/c1-3-7-16-8-6-13-21(14-11-16)15-17-9-5-10-18(20-17)19-12-4-2/h5,9-10,16H,3-4,6-8,11-15H2,1-2H3,(H,19,20)
InChIKeyBANGWPLCZHWBEI-UHFFFAOYSA-N
XLogP4.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine (CID 79234189) is N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine is CCCNc1cccc(CN2CCCC(CCC)CC2)n1.
What is the InChIKey of N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine?
The InChIKey is BANGWPLCZHWBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-7-16-8-6-13-21(14-11-16)15-17-9-5-10-18(20-17)19-12-4-2/h5,9-10,16H,3-4,6-8,11-15H2,1-2H3,(H,19,20).
What are the key properties of N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine?
N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79234189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).