2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline

C16H28N2 — CID 55079155

IUPAC2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
SMILESCCCCCN(CCc1ccccc1N)C(C)C
InChIInChI=1S/C16H28N2/c1-4-5-8-12-18(14(2)3)13-11-15-9-6-7-10-16(15)17/h6-7,9-10,14H,4-5,8,11-13,17H2,1-3H3
InChIKeyWXAZRKMNZQKZEZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.71
Rot. Bonds8

About 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline

2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline (PubChem CID 55079155) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
PubChem CID55079155
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
SMILESCCCCCN(CCc1ccccc1N)C(C)C
InChIInChI=1S/C16H28N2/c1-4-5-8-12-18(14(2)3)13-11-15-9-6-7-10-16(15)17/h6-7,9-10,14H,4-5,8,11-13,17H2,1-3H3
InChIKeyWXAZRKMNZQKZEZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-N-pentyl-N-propan-2-ylacetamide
CID 61105636
2-tetradecylaniline
CID 22218918
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
CID 107274303
2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
CID 62495732
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
5-[(2-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylpentanenitrile
CID 65255928
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230

Frequently Asked Questions

What is the IUPAC name of 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline?
The IUPAC name of 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline (CID 55079155) is 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline.
What is the SMILES notation for 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline?
The canonical SMILES for 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline is CCCCCN(CCc1ccccc1N)C(C)C.
What is the InChIKey of 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline?
The InChIKey is WXAZRKMNZQKZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-5-8-12-18(14(2)3)13-11-15-9-6-7-10-16(15)17/h6-7,9-10,14H,4-5,8,11-13,17H2,1-3H3.
What are the key properties of 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline?
2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline has a molecular weight of 248.41 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline is sourced from PubChem (CID 55079155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).