1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine

C12H26N2O — CID 103019940

IUPAC1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
SMILESCOC(C)(C)CCNC(C)CNC1CC1
InChIInChI=1S/C12H26N2O/c1-10(9-14-11-5-6-11)13-8-7-12(2,3)15-4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyMFKBCHRZDFUTTE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds8

About 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine

1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine (PubChem CID 103019940) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
PubChem CID103019940
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
SMILESCOC(C)(C)CCNC(C)CNC1CC1
InChIInChI=1S/C12H26N2O/c1-10(9-14-11-5-6-11)13-8-7-12(2,3)15-4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyMFKBCHRZDFUTTE-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
CID 103036979
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine
CID 114752713
5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
CID 103037206
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
CID 103036875

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine (CID 103019940) is 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine is COC(C)(C)CCNC(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
The InChIKey is MFKBCHRZDFUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(9-14-11-5-6-11)13-8-7-12(2,3)15-4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 103019940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).