N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine

C17H28N2 — CID 62417209

IUPACN-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(c1ccccc1)N(C)C1CCCC1
InChIInChI=1S/C17H28N2/c1-14(2)18-13-17(15-9-5-4-6-10-15)19(3)16-11-7-8-12-16/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3
InChIKeyPMDYHECLLKKAKV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds6

About N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine

N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62417209) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62417209
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(c1ccccc1)N(C)C1CCCC1
InChIInChI=1S/C17H28N2/c1-14(2)18-13-17(15-9-5-4-6-10-15)19(3)16-11-7-8-12-16/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3
InChIKeyPMDYHECLLKKAKV-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 82754002
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242
N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62413207
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
CID 103781587
1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439187

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine (CID 62417209) is N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine is CC(C)NCC(c1ccccc1)N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PMDYHECLLKKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)18-13-17(15-9-5-4-6-10-15)19(3)16-11-7-8-12-16/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3.
What are the key properties of N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62417209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).