1-cyclopropyl-N-ethylbutane-1,4-diamine

C9H20N2 — CID 89158908

IUPAC1-cyclopropyl-N-ethylbutane-1,4-diamine
SMILESCCNC(CCCN)C1CC1
InChIInChI=1S/C9H20N2/c1-2-11-9(4-3-7-10)8-5-6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyOLVVJDDKQOOEHY-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.11
Rot. Bonds6

About 1-cyclopropyl-N-ethylbutane-1,4-diamine

1-cyclopropyl-N-ethylbutane-1,4-diamine (PubChem CID 89158908) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethylbutane-1,4-diamine
PubChem CID89158908
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-cyclopropyl-N-ethylbutane-1,4-diamine
SMILESCCNC(CCCN)C1CC1
InChIInChI=1S/C9H20N2/c1-2-11-9(4-3-7-10)8-5-6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyOLVVJDDKQOOEHY-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethylbutane-1,4-diamine?
The IUPAC name of 1-cyclopropyl-N-ethylbutane-1,4-diamine (CID 89158908) is 1-cyclopropyl-N-ethylbutane-1,4-diamine.
What is the SMILES notation for 1-cyclopropyl-N-ethylbutane-1,4-diamine?
The canonical SMILES for 1-cyclopropyl-N-ethylbutane-1,4-diamine is CCNC(CCCN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethylbutane-1,4-diamine?
The InChIKey is OLVVJDDKQOOEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-11-9(4-3-7-10)8-5-6-8/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethylbutane-1,4-diamine?
1-cyclopropyl-N-ethylbutane-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethylbutane-1,4-diamine is sourced from PubChem (CID 89158908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).