N-ethylhexadec-1-yn-5-amine

C18H35N — CID 115859541

IUPACN-ethylhexadec-1-yn-5-amine
SMILESC#CCCC(CCCCCCCCCCC)NCC
InChIInChI=1S/C18H35N/c1-4-7-9-10-11-12-13-14-15-17-18(19-6-3)16-8-5-2/h2,18-19H,4,6-17H2,1,3H3
InChIKeyIKSSSAFERJJZOB-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.30
Rot. Bonds14

About N-ethylhexadec-1-yn-5-amine

N-ethylhexadec-1-yn-5-amine (PubChem CID 115859541) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-ethylhexadec-1-yn-5-amine.

Molecular Properties

Compound NameN-ethylhexadec-1-yn-5-amine
PubChem CID115859541
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-ethylhexadec-1-yn-5-amine
SMILESC#CCCC(CCCCCCCCCCC)NCC
InChIInChI=1S/C18H35N/c1-4-7-9-10-11-12-13-14-15-17-18(19-6-3)16-8-5-2/h2,18-19H,4,6-17H2,1,3H3
InChIKeyIKSSSAFERJJZOB-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethylheptadec-1-yn-6-amine
CID 105034079
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-yn-5-amine
CID 115859385
N-propyldodec-1-yn-5-amine
CID 115859300
N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
N-ethylnonan-3-amine
CID 60996683
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
(5S,6S)-hexadec-1-yne-5,6-diol
CID 11196120

Frequently Asked Questions

What is the IUPAC name of N-ethylhexadec-1-yn-5-amine?
The IUPAC name of N-ethylhexadec-1-yn-5-amine (CID 115859541) is N-ethylhexadec-1-yn-5-amine.
What is the SMILES notation for N-ethylhexadec-1-yn-5-amine?
The canonical SMILES for N-ethylhexadec-1-yn-5-amine is C#CCCC(CCCCCCCCCCC)NCC.
What is the InChIKey of N-ethylhexadec-1-yn-5-amine?
The InChIKey is IKSSSAFERJJZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-7-9-10-11-12-13-14-15-17-18(19-6-3)16-8-5-2/h2,18-19H,4,6-17H2,1,3H3.
What are the key properties of N-ethylhexadec-1-yn-5-amine?
N-ethylhexadec-1-yn-5-amine has a molecular weight of 265.48 g/mol, XLogP of 5.30, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhexadec-1-yn-5-amine is sourced from PubChem (CID 115859541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).