N-ethyltridec-1-en-5-amine

C15H31N — CID 104987742

IUPACN-ethyltridec-1-en-5-amine
SMILESC=CCCC(CCCCCCCC)NCC
InChIInChI=1S/C15H31N/c1-4-7-9-10-11-12-14-15(16-6-3)13-8-5-2/h5,15-16H,2,4,6-14H2,1,3H3
InChIKeySZSORUMONXLCAH-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.68
Rot. Bonds12

About N-ethyltridec-1-en-5-amine

N-ethyltridec-1-en-5-amine (PubChem CID 104987742) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-ethyltridec-1-en-5-amine.

Molecular Properties

Compound NameN-ethyltridec-1-en-5-amine
PubChem CID104987742
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-ethyltridec-1-en-5-amine
SMILESC=CCCC(CCCCCCCC)NCC
InChIInChI=1S/C15H31N/c1-4-7-9-10-11-12-14-15(16-6-3)13-8-5-2/h5,15-16H,2,4,6-14H2,1,3H3
InChIKeySZSORUMONXLCAH-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propylundec-1-en-5-amine
CID 104987530
N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
N-prop-2-enylundecan-6-amine
CID 43755395
N-ethylnonan-3-amine
CID 60996683
N-methylpentadec-1-en-8-amine
CID 107011425
N-oct-2-ynylnona-1,8-dien-5-amine
CID 11402374
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyl-1-methylsulfonylhex-5-en-2-amine
CID 115631216

Frequently Asked Questions

What is the IUPAC name of N-ethyltridec-1-en-5-amine?
The IUPAC name of N-ethyltridec-1-en-5-amine (CID 104987742) is N-ethyltridec-1-en-5-amine.
What is the SMILES notation for N-ethyltridec-1-en-5-amine?
The canonical SMILES for N-ethyltridec-1-en-5-amine is C=CCCC(CCCCCCCC)NCC.
What is the InChIKey of N-ethyltridec-1-en-5-amine?
The InChIKey is SZSORUMONXLCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-7-9-10-11-12-14-15(16-6-3)13-8-5-2/h5,15-16H,2,4,6-14H2,1,3H3.
What are the key properties of N-ethyltridec-1-en-5-amine?
N-ethyltridec-1-en-5-amine has a molecular weight of 225.42 g/mol, XLogP of 4.68, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyltridec-1-en-5-amine is sourced from PubChem (CID 104987742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).