N-propyldodec-1-yn-5-amine

C15H29N — CID 115859300

IUPACN-propyldodec-1-yn-5-amine
SMILESC#CCCC(CCCCCCC)NCCC
InChIInChI=1S/C15H29N/c1-4-7-9-10-11-13-15(12-8-5-2)16-14-6-3/h2,15-16H,4,6-14H2,1,3H3
InChIKeyIBAPJWUYVNEBFB-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.13
Rot. Bonds11

About N-propyldodec-1-yn-5-amine

N-propyldodec-1-yn-5-amine (PubChem CID 115859300) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-propyldodec-1-yn-5-amine.

Molecular Properties

Compound NameN-propyldodec-1-yn-5-amine
PubChem CID115859300
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-propyldodec-1-yn-5-amine
SMILESC#CCCC(CCCCCCC)NCCC
InChIInChI=1S/C15H29N/c1-4-7-9-10-11-13-15(12-8-5-2)16-14-6-3/h2,15-16H,4,6-14H2,1,3H3
InChIKeyIBAPJWUYVNEBFB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.13
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-propylundec-1-yn-5-amine
CID 115859385
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-propyldodec-1-yn-5-amine?
The IUPAC name of N-propyldodec-1-yn-5-amine (CID 115859300) is N-propyldodec-1-yn-5-amine.
What is the SMILES notation for N-propyldodec-1-yn-5-amine?
The canonical SMILES for N-propyldodec-1-yn-5-amine is C#CCCC(CCCCCCC)NCCC.
What is the InChIKey of N-propyldodec-1-yn-5-amine?
The InChIKey is IBAPJWUYVNEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-7-9-10-11-13-15(12-8-5-2)16-14-6-3/h2,15-16H,4,6-14H2,1,3H3.
What are the key properties of N-propyldodec-1-yn-5-amine?
N-propyldodec-1-yn-5-amine has a molecular weight of 223.40 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyldodec-1-yn-5-amine is sourced from PubChem (CID 115859300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).