1-cyclopropyl-N-ethyl-3-propylhexan-2-amine

C14H29N — CID 104986528

IUPAC1-cyclopropyl-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(CC1CC1)NCC
InChIInChI=1S/C14H29N/c1-4-7-13(8-5-2)14(15-6-3)11-12-9-10-12/h12-15H,4-11H2,1-3H3
InChIKeyPHNOXMRYAYSGLM-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds9

About 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine

1-cyclopropyl-N-ethyl-3-propylhexan-2-amine (PubChem CID 104986528) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3-propylhexan-2-amine
PubChem CID104986528
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-cyclopropyl-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(CC1CC1)NCC
InChIInChI=1S/C14H29N/c1-4-7-13(8-5-2)14(15-6-3)11-12-9-10-12/h12-15H,4-11H2,1-3H3
InChIKeyPHNOXMRYAYSGLM-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine (CID 104986528) is 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine is CCCC(CCC)C(CC1CC1)NCC.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine?
The InChIKey is PHNOXMRYAYSGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-7-13(8-5-2)14(15-6-3)11-12-9-10-12/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine?
1-cyclopropyl-N-ethyl-3-propylhexan-2-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-3-propylhexan-2-amine is sourced from PubChem (CID 104986528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).