4-[(heptan-2-ylamino)methyl]aniline

C14H24N2 — CID 61465619

IUPAC4-[(heptan-2-ylamino)methyl]aniline
SMILESCCCCCC(C)NCc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-3-4-5-6-12(2)16-11-13-7-9-14(15)10-8-13/h7-10,12,16H,3-6,11,15H2,1-2H3
InChIKeyQJYXKXJUZLDUNI-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.33
Rot. Bonds7

About 4-[(heptan-2-ylamino)methyl]aniline

4-[(heptan-2-ylamino)methyl]aniline (PubChem CID 61465619) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[(heptan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name4-[(heptan-2-ylamino)methyl]aniline
PubChem CID61465619
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[(heptan-2-ylamino)methyl]aniline
SMILESCCCCCC(C)NCc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-3-4-5-6-12(2)16-11-13-7-9-14(15)10-8-13/h7-10,12,16H,3-6,11,15H2,1-2H3
InChIKeyQJYXKXJUZLDUNI-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
(2R)-N-benzylheptan-2-amine
CID 14923313
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
4-[2-(hexan-2-ylamino)ethyl]aniline
CID 62199328
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866

Frequently Asked Questions

What is the IUPAC name of 4-[(heptan-2-ylamino)methyl]aniline?
The IUPAC name of 4-[(heptan-2-ylamino)methyl]aniline (CID 61465619) is 4-[(heptan-2-ylamino)methyl]aniline.
What is the SMILES notation for 4-[(heptan-2-ylamino)methyl]aniline?
The canonical SMILES for 4-[(heptan-2-ylamino)methyl]aniline is CCCCCC(C)NCc1ccc(N)cc1.
What is the InChIKey of 4-[(heptan-2-ylamino)methyl]aniline?
The InChIKey is QJYXKXJUZLDUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-5-6-12(2)16-11-13-7-9-14(15)10-8-13/h7-10,12,16H,3-6,11,15H2,1-2H3.
What are the key properties of 4-[(heptan-2-ylamino)methyl]aniline?
4-[(heptan-2-ylamino)methyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(heptan-2-ylamino)methyl]aniline is sourced from PubChem (CID 61465619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).