2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline

C18H30N2 — CID 107274552

IUPAC2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
SMILESCC(C)CN(CCCc1ccccc1N)C1CCCC1
InChIInChI=1S/C18H30N2/c1-15(2)14-20(17-10-4-5-11-17)13-7-9-16-8-3-6-12-18(16)19/h3,6,8,12,15,17H,4-5,7,9-11,13-14,19H2,1-2H3
InChIKeyPQRXUHMDKNFHJN-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.10
Rot. Bonds7

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

2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline (PubChem CID 107274552) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
PubChem CID107274552
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
SMILESCC(C)CN(CCCc1ccccc1N)C1CCCC1
InChIInChI=1S/C18H30N2/c1-15(2)14-20(17-10-4-5-11-17)13-7-9-16-8-3-6-12-18(16)19/h3,6,8,12,15,17H,4-5,7,9-11,13-14,19H2,1-2H3
InChIKeyPQRXUHMDKNFHJN-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.10
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

2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
CID 55079431
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
CID 62495732
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
ethane;2-(3-methylbutyl)aniline
CID 143042088
2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
CID 107274303
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
CID 107274354

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline?
The IUPAC name of 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline (CID 107274552) is 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline.
What is the SMILES notation for 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline?
The canonical SMILES for 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline is CC(C)CN(CCCc1ccccc1N)C1CCCC1.
What is the InChIKey of 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline?
The InChIKey is PQRXUHMDKNFHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)14-20(17-10-4-5-11-17)13-7-9-16-8-3-6-12-18(16)19/h3,6,8,12,15,17H,4-5,7,9-11,13-14,19H2,1-2H3.
What are the key properties of 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline?
2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline is sourced from PubChem (CID 107274552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).