6-pent-4-enoxy-N-propan-2-ylhexan-1-amine

C14H29NO — CID 79112541

IUPAC6-pent-4-enoxy-N-propan-2-ylhexan-1-amine
SMILESC=CCCCOCCCCCCNC(C)C
InChIInChI=1S/C14H29NO/c1-4-5-9-12-16-13-10-7-6-8-11-15-14(2)3/h4,14-15H,1,5-13H2,2-3H3
InChIKeyTWWLAXHMXVMCSS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.53
Rot. Bonds12

About 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine

6-pent-4-enoxy-N-propan-2-ylhexan-1-amine (PubChem CID 79112541) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-pent-4-enoxy-N-propan-2-ylhexan-1-amine
PubChem CID79112541
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name6-pent-4-enoxy-N-propan-2-ylhexan-1-amine
SMILESC=CCCCOCCCCCCNC(C)C
InChIInChI=1S/C14H29NO/c1-4-5-9-12-16-13-10-7-6-8-11-15-14(2)3/h4,14-15H,1,5-13H2,2-3H3
InChIKeyTWWLAXHMXVMCSS-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine (CID 79112541) is 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine is C=CCCCOCCCCCCNC(C)C.
What is the InChIKey of 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine?
The InChIKey is TWWLAXHMXVMCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-9-12-16-13-10-7-6-8-11-15-14(2)3/h4,14-15H,1,5-13H2,2-3H3.
What are the key properties of 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine?
6-pent-4-enoxy-N-propan-2-ylhexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-4-enoxy-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 79112541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).