2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine

C12H26N2O2 — CID 66179630

IUPAC2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)NC1CCCC1)OC
InChIInChI=1S/C12H26N2O2/c1-12(9-13,8-11(15-2)16-3)14-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3
InChIKeyZPXMQHVVSUIMPB-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.25
Rot. Bonds7

About 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine

2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine (PubChem CID 66179630) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
PubChem CID66179630
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)NC1CCCC1)OC
InChIInChI=1S/C12H26N2O2/c1-12(9-13,8-11(15-2)16-3)14-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3
InChIKeyZPXMQHVVSUIMPB-UHFFFAOYSA-N
XLogP1.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine (CID 66179630) is 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine is COC(CC(C)(CN)NC1CCCC1)OC.
What is the InChIKey of 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The InChIKey is ZPXMQHVVSUIMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(9-13,8-11(15-2)16-3)14-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66179630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).