3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine

C11H24N2 — CID 62420912

IUPAC3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
SMILESCCNCCC(C)N(CC)C1CC1
InChIInChI=1S/C11H24N2/c1-4-12-9-8-10(3)13(5-2)11-6-7-11/h10-12H,4-9H2,1-3H3
InChIKeyVXVSEOAYXYQWSH-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds7

About 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine

3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine (PubChem CID 62420912) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
PubChem CID62420912
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
SMILESCCNCCC(C)N(CC)C1CC1
InChIInChI=1S/C11H24N2/c1-4-12-9-8-10(3)13(5-2)11-6-7-11/h10-12H,4-9H2,1-3H3
InChIKeyVXVSEOAYXYQWSH-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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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Related Compounds

3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 62420483
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62422950
4-N-butan-2-yl-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 114762837
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
CID 80557958
4-N-cyclopropyl-4-N-(2-methylpropyl)-1-N-propylpentane-1,4-diamine
CID 55073987
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine (CID 62420912) is 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine is CCNCCC(C)N(CC)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine?
The InChIKey is VXVSEOAYXYQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-12-9-8-10(3)13(5-2)11-6-7-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine?
3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine is sourced from PubChem (CID 62420912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).