5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine

C17H31N3 — CID 107871241

IUPAC5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine
SMILESCc1cc(N(CCC(C)C)CCC(C)C)c(CN)cn1
InChIInChI=1S/C17H31N3/c1-13(2)6-8-20(9-7-14(3)4)17-10-15(5)19-12-16(17)11-18/h10,12-14H,6-9,11,18H2,1-5H3
InChIKeyRUUGEPXKOANQSU-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.75
Rot. Bonds8

About 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine

5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine (PubChem CID 107871241) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine
PubChem CID107871241
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine
SMILESCc1cc(N(CCC(C)C)CCC(C)C)c(CN)cn1
InChIInChI=1S/C17H31N3/c1-13(2)6-8-20(9-7-14(3)4)17-10-15(5)19-12-16(17)11-18/h10,12-14H,6-9,11,18H2,1-5H3
InChIKeyRUUGEPXKOANQSU-UHFFFAOYSA-N
XLogP3.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine
CID 82952312
5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine
CID 81248348
5-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 81246878
5-(aminomethyl)-N,2-dimethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81248991
5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 81233598
[4-(dipropylamino)-6-methyl-3-pyridinyl]methanol
CID 81237111
5-(aminomethyl)-N,2-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine
CID 81248708
(6-methyl-4-propan-2-ylsulfanyl-3-pyridinyl)methanamine
CID 130826140
5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81235646
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol
CID 81239387
5-N,3-dimethyl-5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 102713155

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine (CID 107871241) is 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine is Cc1cc(N(CCC(C)C)CCC(C)C)c(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine?
The InChIKey is RUUGEPXKOANQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)6-8-20(9-7-14(3)4)17-10-15(5)19-12-16(17)11-18/h10,12-14H,6-9,11,18H2,1-5H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine?
5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine is sourced from PubChem (CID 107871241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).