N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine

C17H31N3 — CID 115939346

IUPACN-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
SMILESCCCNC(CC)c1ccc(N(C)CCC(C)C)cn1
InChIInChI=1S/C17H31N3/c1-6-11-18-16(7-2)17-9-8-15(13-19-17)20(5)12-10-14(3)4/h8-9,13-14,16,18H,6-7,10-12H2,1-5H3
InChIKeyWJRVOHDMARZBNQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.01
Rot. Bonds9

About N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine

N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine (PubChem CID 115939346) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
PubChem CID115939346
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
SMILESCCCNC(CC)c1ccc(N(C)CCC(C)C)cn1
InChIInChI=1S/C17H31N3/c1-6-11-18-16(7-2)17-9-8-15(13-19-17)20(5)12-10-14(3)4/h8-9,13-14,16,18H,6-7,10-12H2,1-5H3
InChIKeyWJRVOHDMARZBNQ-UHFFFAOYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
CID 112584090
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584248
N-cyclopropyl-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584130
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
N-cyclopropyl-N-propyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939237
N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939352
3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122548
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(3-methylbutyl)pyridin-3-amine
CID 115939457
6-[1-(ethylamino)propyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-3-amine
CID 115939736
2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol
CID 115939423

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine (CID 115939346) is N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine is CCCNC(CC)c1ccc(N(C)CCC(C)C)cn1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
The InChIKey is WJRVOHDMARZBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-11-18-16(7-2)17-9-8-15(13-19-17)20(5)12-10-14(3)4/h8-9,13-14,16,18H,6-7,10-12H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine has a molecular weight of 277.46 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine is sourced from PubChem (CID 115939346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).