2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine

C12H26N2O — CID 106675731

IUPAC2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NC1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2,15-3)8-11(9-13)14-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3
InChIKeyFZVONJAJQMZRFP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.66
Rot. Bonds6

About 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine

2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675731) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675731
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NC1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2,15-3)8-11(9-13)14-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3
InChIKeyFZVONJAJQMZRFP-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine (CID 106675731) is 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine is COC(C)(C)CC(CN)NC1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is FZVONJAJQMZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,15-3)8-11(9-13)14-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine?
2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).