2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine

C12H26N2 — CID 60866137

IUPAC2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCC(C)C(C)N(C)CC(C)(N)C1CC1
InChIInChI=1S/C12H26N2/c1-9(2)10(3)14(5)8-12(4,13)11-6-7-11/h9-11H,6-8,13H2,1-5H3
InChIKeyPGVOSCQHEMJIAO-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds5

About 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine

2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 60866137) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
PubChem CID60866137
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCC(C)C(C)N(C)CC(C)(N)C1CC1
InChIInChI=1S/C12H26N2/c1-9(2)10(3)14(5)8-12(4,13)11-6-7-11/h9-11H,6-8,13H2,1-5H3
InChIKeyPGVOSCQHEMJIAO-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine (CID 60866137) is 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine is CC(C)C(C)N(C)CC(C)(N)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is PGVOSCQHEMJIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)10(3)14(5)8-12(4,13)11-6-7-11/h9-11H,6-8,13H2,1-5H3.
What are the key properties of 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 60866137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).