1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine

C16H34N2 — CID 79864029

IUPAC1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine
SMILESCCCCN(CCCC)C1CCC(C)(C)C1NC
InChIInChI=1S/C16H34N2/c1-6-8-12-18(13-9-7-2)14-10-11-16(3,4)15(14)17-5/h14-15,17H,6-13H2,1-5H3
InChIKeyHYDHJYWJMCFLHB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine

1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine (PubChem CID 79864029) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine
PubChem CID79864029
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine
SMILESCCCCN(CCCC)C1CCC(C)(C)C1NC
InChIInChI=1S/C16H34N2/c1-6-8-12-18(13-9-7-2)14-10-11-16(3,4)15(14)17-5/h14-15,17H,6-13H2,1-5H3
InChIKeyHYDHJYWJMCFLHB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine
CID 79859662
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79860132
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992323
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828938
1-N-[3-(diethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992521
1-N,1-N,2-N,3,3-pentamethylcyclopentane-1,2-diamine
CID 79864117
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
CID 107869702
1-N-cyclopentyl-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79864395
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859815
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
5-butoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79857081

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine?
The IUPAC name of 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine (CID 79864029) is 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine is CCCCN(CCCC)C1CCC(C)(C)C1NC.
What is the InChIKey of 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine?
The InChIKey is HYDHJYWJMCFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-12-18(13-9-7-2)14-10-11-16(3,4)15(14)17-5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine?
1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 79864029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).