4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine

C14H27N — CID 123812126

IUPAC4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine
SMILESCCC(=CCC(N)C1(CC)CC1)C(C)C
InChIInChI=1S/C14H27N/c1-5-12(11(3)4)7-8-13(15)14(6-2)9-10-14/h7,11,13H,5-6,8-10,15H2,1-4H3
InChIKeyAEIURHOMVHRVPN-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.89
Rot. Bonds6

About 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine

4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine (PubChem CID 123812126) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine
PubChem CID123812126
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine
SMILESCCC(=CCC(N)C1(CC)CC1)C(C)C
InChIInChI=1S/C14H27N/c1-5-12(11(3)4)7-8-13(15)14(6-2)9-10-14/h7,11,13H,5-6,8-10,15H2,1-4H3
InChIKeyAEIURHOMVHRVPN-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine?
The IUPAC name of 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine (CID 123812126) is 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine.
What is the SMILES notation for 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine?
The canonical SMILES for 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine is CCC(=CCC(N)C1(CC)CC1)C(C)C.
What is the InChIKey of 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine?
The InChIKey is AEIURHOMVHRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-12(11(3)4)7-8-13(15)14(6-2)9-10-14/h7,11,13H,5-6,8-10,15H2,1-4H3.
What are the key properties of 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine?
4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine is sourced from PubChem (CID 123812126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).