1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine

C9H20N2O — CID 103225416

IUPAC1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOCC(CNC1CC1)N(C)C
InChIInChI=1S/C9H20N2O/c1-11(2)9(7-12-3)6-10-8-4-5-8/h8-10H,4-7H2,1-3H3
InChIKeyQHMSVCNFBKPODM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds6

About 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine

1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 103225416) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID103225416
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOCC(CNC1CC1)N(C)C
InChIInChI=1S/C9H20N2O/c1-11(2)9(7-12-3)6-10-8-4-5-8/h8-10H,4-7H2,1-3H3
InChIKeyQHMSVCNFBKPODM-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 103225619
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 103227237
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227378
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
CID 103226668
1-N,2-N-dicyclopropyl-2-N-(cyclopropylmethyl)-3-methoxypropane-1,2-diamine
CID 103226758
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine (CID 103225416) is 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine is COCC(CNC1CC1)N(C)C.
What is the InChIKey of 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is QHMSVCNFBKPODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(2)9(7-12-3)6-10-8-4-5-8/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103225416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).