N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine

C19H32N2 — CID 62259481

IUPACN-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine
SMILESCc1ccccc1CN(C)CC1(CNC(C)C)CCCC1
InChIInChI=1S/C19H32N2/c1-16(2)20-14-19(11-7-8-12-19)15-21(4)13-18-10-6-5-9-17(18)3/h5-6,9-10,16,20H,7-8,11-15H2,1-4H3
InChIKeyRNDJYZCVJBZIRA-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.99
Rot. Bonds7

About N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 62259481) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID62259481
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine
SMILESCc1ccccc1CN(C)CC1(CNC(C)C)CCCC1
InChIInChI=1S/C19H32N2/c1-16(2)20-14-19(11-7-8-12-19)15-21(4)13-18-10-6-5-9-17(18)3/h5-6,9-10,16,20H,7-8,11-15H2,1-4H3
InChIKeyRNDJYZCVJBZIRA-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol
CID 55055377
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 65009087
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 62259646
2-[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopropyl]acetonitrile
CID 65495276
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline
CID 63493505
N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine
CID 62259078
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62391822
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine (CID 62259481) is N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine is Cc1ccccc1CN(C)CC1(CNC(C)C)CCCC1.
What is the InChIKey of N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is RNDJYZCVJBZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)20-14-19(11-7-8-12-19)15-21(4)13-18-10-6-5-9-17(18)3/h5-6,9-10,16,20H,7-8,11-15H2,1-4H3.
What are the key properties of N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62259481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).