3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine

C18H25N3 — CID 81049487

IUPAC3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine
SMILESCc1cc(N(C)CCCc2ccccc2)c(CN)c(C)n1
InChIInChI=1S/C18H25N3/c1-14-12-18(17(13-19)15(2)20-14)21(3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11,13,19H2,1-3H3
InChIKeyUBJGNNBMPMWJMB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.23
Rot. Bonds6

About 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine

3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine (PubChem CID 81049487) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine
PubChem CID81049487
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine
SMILESCc1cc(N(C)CCCc2ccccc2)c(CN)c(C)n1
InChIInChI=1S/C18H25N3/c1-14-12-18(17(13-19)15(2)20-14)21(3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11,13,19H2,1-3H3
InChIKeyUBJGNNBMPMWJMB-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
CID 79515815
3-(aminomethyl)-N,4,6-trimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 65484864
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine
CID 81050849
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 43587097
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
4-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 80507508
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991366

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine (CID 81049487) is 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine is Cc1cc(N(C)CCCc2ccccc2)c(CN)c(C)n1.
What is the InChIKey of 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine?
The InChIKey is UBJGNNBMPMWJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-12-18(17(13-19)15(2)20-14)21(3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11,13,19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine?
3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine is sourced from PubChem (CID 81049487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).