N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C11H24N2 — CID 60868035

IUPACN-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCCNC1CC1
InChIInChI=1S/C11H24N2/c1-10(2)9-13(3)8-4-7-12-11-5-6-11/h10-12H,4-9H2,1-3H3
InChIKeyHXUCIEWKWRMDLM-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds7

About N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 60868035) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID60868035
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCCNC1CC1
InChIInChI=1S/C11H24N2/c1-10(2)9-13(3)8-4-7-12-11-5-6-11/h10-12H,4-9H2,1-3H3
InChIKeyHXUCIEWKWRMDLM-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 60868035) is N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CN(C)CCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is HXUCIEWKWRMDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)9-13(3)8-4-7-12-11-5-6-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 60868035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).