N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine

C17H31N3 — CID 81249392

IUPACN,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCCN(CCCC)c1ccncc1CNCCC
InChIInChI=1S/C17H31N3/c1-4-7-12-20(13-8-5-2)17-9-11-19-15-16(17)14-18-10-6-3/h9,11,15,18H,4-8,10,12-14H2,1-3H3
InChIKeyHXZRBORNUNXVRM-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.99
Rot. Bonds11

About N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine

N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine (PubChem CID 81249392) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
PubChem CID81249392
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCCN(CCCC)c1ccncc1CNCCC
InChIInChI=1S/C17H31N3/c1-4-7-12-20(13-8-5-2)17-9-11-19-15-16(17)14-18-10-6-3/h9,11,15,18H,4-8,10,12-14H2,1-3H3
InChIKeyHXZRBORNUNXVRM-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247682
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
N-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
CID 105072835
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine
CID 105074300
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
CID 81246655
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine (CID 81249392) is N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine is CCCCN(CCCC)c1ccncc1CNCCC.
What is the InChIKey of N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine?
The InChIKey is HXZRBORNUNXVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-7-12-20(13-8-5-2)17-9-11-19-15-16(17)14-18-10-6-3/h9,11,15,18H,4-8,10,12-14H2,1-3H3.
What are the key properties of N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine?
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81249392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).