1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine

C17H28N2 — CID 62463301

IUPAC1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
SMILESCc1ccccc1CN(C)C(C)CCCNC1CC1
InChIInChI=1S/C17H28N2/c1-14-7-4-5-9-16(14)13-19(3)15(2)8-6-12-18-17-10-11-17/h4-5,7,9,15,17-18H,6,8,10-13H2,1-3H3
InChIKeyPTCMXGJPHMRXDU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.35
Rot. Bonds8

About 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine

1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine (PubChem CID 62463301) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
PubChem CID62463301
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
SMILESCc1ccccc1CN(C)C(C)CCCNC1CC1
InChIInChI=1S/C17H28N2/c1-14-7-4-5-9-16(14)13-19(3)15(2)8-6-12-18-17-10-11-17/h4-5,7,9,15,17-18H,6,8,10-13H2,1-3H3
InChIKeyPTCMXGJPHMRXDU-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
1-N-cyclopentyl-2-N-methyl-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 62569436
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463758
1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 62461524
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
CID 62431547
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine (CID 62463301) is 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine is Cc1ccccc1CN(C)C(C)CCCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The InChIKey is PTCMXGJPHMRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-7-4-5-9-16(14)13-19(3)15(2)8-6-12-18-17-10-11-17/h4-5,7,9,15,17-18H,6,8,10-13H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 62463301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).