2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine

C19H32N2 — CID 79577299

IUPAC2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCN(C)Cc1cccc(C)c1
InChIInChI=1S/C19H32N2/c1-4-12-20-19-10-6-9-18(19)11-13-21(3)15-17-8-5-7-16(2)14-17/h5,7-8,14,18-20H,4,6,9-13,15H2,1-3H3
InChIKeyIPMIDRLIAQHYAG-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.99
Rot. Bonds8

About 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine

2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine (PubChem CID 79577299) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine
PubChem CID79577299
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCN(C)Cc1cccc(C)c1
InChIInChI=1S/C19H32N2/c1-4-12-20-19-10-6-9-18(19)11-13-21(3)15-17-8-5-7-16(2)14-17/h5,7-8,14,18-20H,4,6,9-13,15H2,1-3H3
InChIKeyIPMIDRLIAQHYAG-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 79577305
N-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 62610042
2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
CID 63495171
2-[2-[cyclopropyl(methyl)amino]ethyl]-N-propylcyclopentan-1-amine
CID 79569650
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
2-[2-(diethylamino)ethyl]-N-propylcyclopentan-1-amine
CID 79569636
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine (CID 79577299) is 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCN(C)Cc1cccc(C)c1.
What is the InChIKey of 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is IPMIDRLIAQHYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-12-20-19-10-6-9-18(19)11-13-21(3)15-17-8-5-7-16(2)14-17/h5,7-8,14,18-20H,4,6,9-13,15H2,1-3H3.
What are the key properties of 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine?
2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79577299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).