3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline

C18H32N2 — CID 115342224

IUPAC3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline
SMILESCCC(CC)N(CCCc1cccc(N)c1)CC(C)C
InChIInChI=1S/C18H32N2/c1-5-18(6-2)20(14-15(3)4)12-8-10-16-9-7-11-17(19)13-16/h7,9,11,13,15,18H,5-6,8,10,12,14,19H2,1-4H3
InChIKeyAWSHTLWXWMMCRE-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.35
Rot. Bonds9

About 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline

3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline (PubChem CID 115342224) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline
PubChem CID115342224
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline
SMILESCCC(CC)N(CCCc1cccc(N)c1)CC(C)C
InChIInChI=1S/C18H32N2/c1-5-18(6-2)20(14-15(3)4)12-8-10-16-9-7-11-17(19)13-16/h7,9,11,13,15,18H,5-6,8,10,12,14,19H2,1-4H3
InChIKeyAWSHTLWXWMMCRE-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.35
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

3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
CID 115341887
4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline
CID 79483188
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312
N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65347754
3-pentylaniline
CID 19911390
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-docosylaniline
CID 139654071
3-[[ethyl(4-methylpentyl)amino]methyl]aniline
CID 83157449
3-[2-(2-methylbutylamino)ethyl]aniline
CID 65347855
3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
CID 115342075
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
3-[2-(dimethylamino)ethyl]aniline
CID 28720801

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline?
The IUPAC name of 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline (CID 115342224) is 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline.
What is the SMILES notation for 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline?
The canonical SMILES for 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline is CCC(CC)N(CCCc1cccc(N)c1)CC(C)C.
What is the InChIKey of 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline?
The InChIKey is AWSHTLWXWMMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-18(6-2)20(14-15(3)4)12-8-10-16-9-7-11-17(19)13-16/h7,9,11,13,15,18H,5-6,8,10,12,14,19H2,1-4H3.
What are the key properties of 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline?
3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline has a molecular weight of 276.47 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline is sourced from PubChem (CID 115342224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).