4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline

C14H24N2 — CID 174182706

IUPAC4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
SMILESCCCC(C)(CC)Nc1ccc(CN)cc1
InChIInChI=1S/C14H24N2/c1-4-10-14(3,5-2)16-13-8-6-12(11-15)7-9-13/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyOUZZPUOKEIYLRC-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds6

About 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline

4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline (PubChem CID 174182706) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
PubChem CID174182706
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
SMILESCCCC(C)(CC)Nc1ccc(CN)cc1
InChIInChI=1S/C14H24N2/c1-4-10-14(3,5-2)16-13-8-6-12(11-15)7-9-13/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyOUZZPUOKEIYLRC-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
CID 166062456
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
CID 84677883
2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
N-(3-methyloctan-3-yl)pyridin-4-amine
CID 134415197
2-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 64549693
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
2-anilino-2-methylpentan-1-ol
CID 61046243
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline?
The IUPAC name of 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline (CID 174182706) is 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline is CCCC(C)(CC)Nc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline?
The InChIKey is OUZZPUOKEIYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-10-14(3,5-2)16-13-8-6-12(11-15)7-9-13/h6-9,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline?
4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline has a molecular weight of 220.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline is sourced from PubChem (CID 174182706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).