1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine

C9H20N2O — CID 81101278

IUPAC1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine
SMILESCOCC(N)CNC1CC1(C)C
InChIInChI=1S/C9H20N2O/c1-9(2)4-8(9)11-5-7(10)6-12-3/h7-8,11H,4-6,10H2,1-3H3
InChIKeyNXYNWFBKAGHKCO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds5

About 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine

1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine (PubChem CID 81101278) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine
PubChem CID81101278
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine
SMILESCOCC(N)CNC1CC1(C)C
InChIInChI=1S/C9H20N2O/c1-9(2)4-8(9)11-5-7(10)6-12-3/h7-8,11H,4-6,10H2,1-3H3
InChIKeyNXYNWFBKAGHKCO-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine (CID 81101278) is 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine is COCC(N)CNC1CC1(C)C.
What is the InChIKey of 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine?
The InChIKey is NXYNWFBKAGHKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)4-8(9)11-5-7(10)6-12-3/h7-8,11H,4-6,10H2,1-3H3.
What are the key properties of 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine?
1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 81101278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).