2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine

C13H28N2 — CID 115907091

IUPAC2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
SMILESCCCC(C)CNCC(C)N(C)C1CC1
InChIInChI=1S/C13H28N2/c1-5-6-11(2)9-14-10-12(3)15(4)13-7-8-13/h11-14H,5-10H2,1-4H3
InChIKeyRWGRUPSTUBZCAR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds8

About 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine

2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine (PubChem CID 115907091) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
PubChem CID115907091
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
SMILESCCCC(C)CNCC(C)N(C)C1CC1
InChIInChI=1S/C13H28N2/c1-5-6-11(2)9-14-10-12(3)15(4)13-7-8-13/h11-14H,5-10H2,1-4H3
InChIKeyRWGRUPSTUBZCAR-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
1-N,4-N-dimethyl-4-N-pentan-2-ylcyclohexane-1,4-diamine
CID 79111269
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62436873
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea
CID 111338463
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476
2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 143778680
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 114133320
N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide
CID 114133096
1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 62567826

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine (CID 115907091) is 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine is CCCC(C)CNCC(C)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine?
The InChIKey is RWGRUPSTUBZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-11(2)9-14-10-12(3)15(4)13-7-8-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine is sourced from PubChem (CID 115907091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).