4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine

C14H22N2 — CID 66660257

IUPAC4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine
SMILESCC(C)c1cc(C2CCCC2)c(N)cc1N
InChIInChI=1S/C14H22N2/c1-9(2)11-7-12(10-5-3-4-6-10)14(16)8-13(11)15/h7-10H,3-6,15-16H2,1-2H3
InChIKeyDLHMEYAZVIXFTC-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.63
Rot. Bonds2

About 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine

4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine (PubChem CID 66660257) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine
PubChem CID66660257
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine
SMILESCC(C)c1cc(C2CCCC2)c(N)cc1N
InChIInChI=1S/C14H22N2/c1-9(2)11-7-12(10-5-3-4-6-10)14(16)8-13(11)15/h7-10H,3-6,15-16H2,1-2H3
InChIKeyDLHMEYAZVIXFTC-UHFFFAOYSA-N
XLogP3.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine (CID 66660257) is 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine is CC(C)c1cc(C2CCCC2)c(N)cc1N.
What is the InChIKey of 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine?
The InChIKey is DLHMEYAZVIXFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9(2)11-7-12(10-5-3-4-6-10)14(16)8-13(11)15/h7-10H,3-6,15-16H2,1-2H3.
What are the key properties of 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine?
4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 66660257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).