2-[2-[bis(2-methylpropyl)amino]ethyl]aniline

C16H28N2 — CID 62495732

IUPAC2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
SMILESCC(C)CN(CCc1ccccc1N)CC(C)C
InChIInChI=1S/C16H28N2/c1-13(2)11-18(12-14(3)4)10-9-15-7-5-6-8-16(15)17/h5-8,13-14H,9-12,17H2,1-4H3
InChIKeyNSPUGZHJFHUCGP-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.43
Rot. Bonds7

About 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline

2-[2-[bis(2-methylpropyl)amino]ethyl]aniline (PubChem CID 62495732) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
PubChem CID62495732
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
SMILESCC(C)CN(CCc1ccccc1N)CC(C)C
InChIInChI=1S/C16H28N2/c1-13(2)11-18(12-14(3)4)10-9-15-7-5-6-8-16(15)17/h5-8,13-14H,9-12,17H2,1-4H3
InChIKeyNSPUGZHJFHUCGP-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(3-methylbutyl)aniline
CID 143042088
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
CID 107274552
3-[[bis(2-methylpropyl)amino]methyl]-2-bromoaniline
CID 114048474
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
CID 55079155
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
2-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107751691
ethane;2-ethylaniline
CID 90841248
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline?
The IUPAC name of 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline (CID 62495732) is 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline.
What is the SMILES notation for 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline?
The canonical SMILES for 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline is CC(C)CN(CCc1ccccc1N)CC(C)C.
What is the InChIKey of 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline?
The InChIKey is NSPUGZHJFHUCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)11-18(12-14(3)4)10-9-15-7-5-6-8-16(15)17/h5-8,13-14H,9-12,17H2,1-4H3.
What are the key properties of 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline?
2-[2-[bis(2-methylpropyl)amino]ethyl]aniline has a molecular weight of 248.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-methylpropyl)amino]ethyl]aniline is sourced from PubChem (CID 62495732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).