1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine

C14H28N2 — CID 79414266

IUPAC1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
SMILESC=C(C)CN(CC)C(C)C(C)CNC1CC1
InChIInChI=1S/C14H28N2/c1-6-16(10-11(2)3)13(5)12(4)9-15-14-7-8-14/h12-15H,2,6-10H2,1,3-5H3
InChIKeySIGUVPMVXVIFFH-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds8

About 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine

1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine (PubChem CID 79414266) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
PubChem CID79414266
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
SMILESC=C(C)CN(CC)C(C)C(C)CNC1CC1
InChIInChI=1S/C14H28N2/c1-6-16(10-11(2)3)13(5)12(4)9-15-14-7-8-14/h12-15H,2,6-10H2,1,3-5H3
InChIKeySIGUVPMVXVIFFH-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine (CID 79414266) is 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine is C=C(C)CN(CC)C(C)C(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The InChIKey is SIGUVPMVXVIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-16(10-11(2)3)13(5)12(4)9-15-14-7-8-14/h12-15H,2,6-10H2,1,3-5H3.
What are the key properties of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine is sourced from PubChem (CID 79414266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).