1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine

C19H32N2 — CID 79059138

IUPAC1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2cc(C)c(C)cc2C)CCCC1
InChIInChI=1S/C19H32N2/c1-6-21(7-2)19(10-8-9-11-19)18(20)17-13-15(4)14(3)12-16(17)5/h12-13,18H,6-11,20H2,1-5H3
InChIKeyIXUVNBOQVIRNKZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.27
Rot. Bonds5

About 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 79059138) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID79059138
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2cc(C)c(C)cc2C)CCCC1
InChIInChI=1S/C19H32N2/c1-6-21(7-2)19(10-8-9-11-19)18(20)17-13-15(4)14(3)12-16(17)5/h12-13,18H,6-11,20H2,1-5H3
InChIKeyIXUVNBOQVIRNKZ-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79601627
1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059165
1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
CID 105242617
1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79081682
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79070030
1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106653676
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
1-[amino-(1-methylpyrazol-4-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069951
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
1-[(3,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
CID 105242728

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine (CID 79059138) is 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(N)c2cc(C)c(C)cc2C)CCCC1.
What is the InChIKey of 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is IXUVNBOQVIRNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-21(7-2)19(10-8-9-11-19)18(20)17-13-15(4)14(3)12-16(17)5/h12-13,18H,6-11,20H2,1-5H3.
What are the key properties of 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 79059138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).