N-propylundec-1-yn-5-amine

C14H27N — CID 115859385

IUPACN-propylundec-1-yn-5-amine
SMILESC#CCCC(CCCCCC)NCCC
InChIInChI=1S/C14H27N/c1-4-7-9-10-12-14(11-8-5-2)15-13-6-3/h2,14-15H,4,6-13H2,1,3H3
InChIKeyUGYMCZPJQHDDLO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.74
Rot. Bonds10

About N-propylundec-1-yn-5-amine

N-propylundec-1-yn-5-amine (PubChem CID 115859385) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-propylundec-1-yn-5-amine.

Molecular Properties

Compound NameN-propylundec-1-yn-5-amine
PubChem CID115859385
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-propylundec-1-yn-5-amine
SMILESC#CCCC(CCCCCC)NCCC
InChIInChI=1S/C14H27N/c1-4-7-9-10-12-14(11-8-5-2)15-13-6-3/h2,14-15H,4,6-13H2,1,3H3
InChIKeyUGYMCZPJQHDDLO-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.74
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-propylhexadec-1-yn-5-amine
CID 115859157
N-propyldodec-1-yn-5-amine
CID 115859300
N-ethylhexadec-1-yn-5-amine
CID 115859541
N-propyldodec-1-yn-4-amine
CID 114977040
N-propyldodec-2-yn-6-amine
CID 105037370
N-propylheptadec-2-yn-6-amine
CID 105037149
N-ethylheptadec-1-yn-6-amine
CID 105034079
3-(propylamino)dodecan-1-ol
CID 114078400
2,2-dimethyl-N-propyloct-7-yn-4-amine
CID 63890246
1-methoxy-N-propyldodecan-4-amine
CID 65091880
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-propylundec-1-en-5-amine
CID 104987530

Frequently Asked Questions

What is the IUPAC name of N-propylundec-1-yn-5-amine?
The IUPAC name of N-propylundec-1-yn-5-amine (CID 115859385) is N-propylundec-1-yn-5-amine.
What is the SMILES notation for N-propylundec-1-yn-5-amine?
The canonical SMILES for N-propylundec-1-yn-5-amine is C#CCCC(CCCCCC)NCCC.
What is the InChIKey of N-propylundec-1-yn-5-amine?
The InChIKey is UGYMCZPJQHDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-7-9-10-12-14(11-8-5-2)15-13-6-3/h2,14-15H,4,6-13H2,1,3H3.
What are the key properties of N-propylundec-1-yn-5-amine?
N-propylundec-1-yn-5-amine has a molecular weight of 209.38 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylundec-1-yn-5-amine is sourced from PubChem (CID 115859385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).