N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine

C18H28N2 — CID 63314496

IUPACN'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
SMILESCN(CCNC1CC(c2ccccc2)C1)C1CCCC1
InChIInChI=1S/C18H28N2/c1-20(18-9-5-6-10-18)12-11-19-17-13-16(14-17)15-7-3-2-4-8-15/h2-4,7-8,16-19H,5-6,9-14H2,1H3
InChIKeyNAMHHVOCKLMBGU-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.40
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine (PubChem CID 63314496) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
PubChem CID63314496
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
SMILESCN(CCNC1CC(c2ccccc2)C1)C1CCCC1
InChIInChI=1S/C18H28N2/c1-20(18-9-5-6-10-18)12-11-19-17-13-16(14-17)15-7-3-2-4-8-15/h2-4,7-8,16-19H,5-6,9-14H2,1H3
InChIKeyNAMHHVOCKLMBGU-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine (CID 63314496) is N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine is CN(CCNC1CC(c2ccccc2)C1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
The InChIKey is NAMHHVOCKLMBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(18-9-5-6-10-18)12-11-19-17-13-16(14-17)15-7-3-2-4-8-15/h2-4,7-8,16-19H,5-6,9-14H2,1H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.40, 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-N-(3-phenylcyclobutyl)ethane-1,2-diamine is sourced from PubChem (CID 63314496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).