3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine

C13H28N2 — CID 62430260

IUPAC3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCNCCC(C)N(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-5-14-9-8-12(4)15(10-11(2)3)13-6-7-13/h11-14H,5-10H2,1-4H3
InChIKeyMBAMNHQRLDHGQC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds8

About 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine

3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 62430260) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID62430260
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCNCCC(C)N(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-5-14-9-8-12(4)15(10-11(2)3)13-6-7-13/h11-14H,5-10H2,1-4H3
InChIKeyMBAMNHQRLDHGQC-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

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62420912
4-N-cyclopropyl-4-N-(2-methylpropyl)-1-N-propylpentane-1,4-diamine
CID 55073987
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62430254
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 62420483
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen
CID 156794556
2-[cyclopropyl(2-methylpropyl)amino]pentanehydrazide
CID 83048058
2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine
CID 103226975
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine (CID 62430260) is 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine is CCNCCC(C)N(CC(C)C)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is MBAMNHQRLDHGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-14-9-8-12(4)15(10-11(2)3)13-6-7-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine?
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-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 3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 62430260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).