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

C10H22N2O — CID 106675658

IUPAC2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NC1CC1
InChIInChI=1S/C10H22N2O/c1-10(2,13-3)6-9(7-11)12-8-4-5-8/h8-9,12H,4-7,11H2,1-3H3
InChIKeyNSPKLTMQQZJMIB-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds6

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

2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675658) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675658
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NC1CC1
InChIInChI=1S/C10H22N2O/c1-10(2,13-3)6-9(7-11)12-8-4-5-8/h8-9,12H,4-7,11H2,1-3H3
InChIKeyNSPKLTMQQZJMIB-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine (CID 106675658) is 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine is COC(C)(C)CC(CN)NC1CC1.
What is the InChIKey of 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is NSPKLTMQQZJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,13-3)6-9(7-11)12-8-4-5-8/h8-9,12H,4-7,11H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine?
2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).