N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine

C18H38N2 — CID 107473561

IUPACN'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CC(CN)CC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H38N2/c1-15(2)10-11-20(17-8-6-7-9-17)14-16(13-19)12-18(3,4)5/h15-17H,6-14,19H2,1-5H3
InChIKeyGGZSZNNIENACQQ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.29
Rot. Bonds8

About N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine

N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine (PubChem CID 107473561) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine
PubChem CID107473561
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CC(CN)CC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H38N2/c1-15(2)10-11-20(17-8-6-7-9-17)14-16(13-19)12-18(3,4)5/h15-17H,6-14,19H2,1-5H3
InChIKeyGGZSZNNIENACQQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-(2,2-dimethylpropyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 107473311
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080018
3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
CID 82850075
N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 104746796
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
CID 107473176
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine (CID 107473561) is N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine is CC(C)CCN(CC(CN)CC(C)(C)C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is GGZSZNNIENACQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-15(2)10-11-20(17-8-6-7-9-17)14-16(13-19)12-18(3,4)5/h15-17H,6-14,19H2,1-5H3.
What are the key properties of N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine?
N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 107473561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).