N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

C17H31N3 — CID 105072837

IUPACN,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCCCCN(CCCC)c1cnccc1CNC(C)C
InChIInChI=1S/C17H31N3/c1-5-7-11-20(12-8-6-2)17-14-18-10-9-16(17)13-19-15(3)4/h9-10,14-15,19H,5-8,11-13H2,1-4H3
InChIKeyXZBLORAMIMYNTM-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.99
Rot. Bonds10

About N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (PubChem CID 105072837) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
PubChem CID105072837
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCCCCN(CCCC)c1cnccc1CNC(C)C
InChIInChI=1S/C17H31N3/c1-5-7-11-20(12-8-6-2)17-14-18-10-9-16(17)13-19-15(3)4/h9-10,14-15,19H,5-8,11-13H2,1-4H3
InChIKeyXZBLORAMIMYNTM-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

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Related Compounds

N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
CID 105072835
N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
CID 105072707
N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 105074234
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
CID 105074309
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The IUPAC name of N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (CID 105072837) is N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The canonical SMILES for N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is CCCCN(CCCC)c1cnccc1CNC(C)C.
What is the InChIKey of N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The InChIKey is XZBLORAMIMYNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-7-11-20(12-8-6-2)17-14-18-10-9-16(17)13-19-15(3)4/h9-10,14-15,19H,5-8,11-13H2,1-4H3.
What are the key properties of N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine has a molecular weight of 277.46 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105072837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).