2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine

C13H28N2O — CID 114544958

IUPAC2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-12(2)6-5-11(9-12)15-13(3,10-14)7-8-16-4/h11,15H,5-10,14H2,1-4H3
InChIKeyIRNJDNXPKXZQAM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.91
Rot. Bonds6

About 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine

2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine (PubChem CID 114544958) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine
PubChem CID114544958
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-12(2)6-5-11(9-12)15-13(3,10-14)7-8-16-4/h11,15H,5-10,14H2,1-4H3
InChIKeyIRNJDNXPKXZQAM-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
CID 114544780
methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 80706394
2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine
CID 83011250
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine
CID 114547587
2-N-cyclopropyl-2-methylpentane-1,2-diamine
CID 62070858
1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
CID 115880253
[2-(3-methoxypropyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012391
2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
CID 114544806
3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol
CID 115908222
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320431
N-(1-methoxypentan-2-yl)-3,3-dimethylcyclopentan-1-amine
CID 80706336

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine (CID 114544958) is 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine is COCCC(C)(CN)NC1CCC(C)(C)C1.
What is the InChIKey of 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine?
The InChIKey is IRNJDNXPKXZQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)6-5-11(9-12)15-13(3,10-14)7-8-16-4/h11,15H,5-10,14H2,1-4H3.
What are the key properties of 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine?
2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 114544958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).