N,N-dimethyldodec-1-yn-1-amine

C14H27N — CID 175777184

IUPACN,N-dimethyldodec-1-yn-1-amine
SMILESCCCCCCCCCCC#CN(C)C
InChIInChI=1S/C14H27N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-12H2,1-3H3
InChIKeyIPAUYBWUOSLRHA-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.04
Rot. Bonds8

About N,N-dimethyldodec-1-yn-1-amine

N,N-dimethyldodec-1-yn-1-amine (PubChem CID 175777184) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,N-dimethyldodec-1-yn-1-amine.

Molecular Properties

Compound NameN,N-dimethyldodec-1-yn-1-amine
PubChem CID175777184
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,N-dimethyldodec-1-yn-1-amine
SMILESCCCCCCCCCCC#CN(C)C
InChIInChI=1S/C14H27N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-12H2,1-3H3
InChIKeyIPAUYBWUOSLRHA-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

henicos-8-yne
CID 22224321
1-iodoundec-1-yne
CID 22678053
1-iodoicos-1-yne
CID 138490318
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
hexacos-3-yne
CID 22223851
hexadeca-3,9-diyne
CID 54568863
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
dec-1-ynylstibane
CID 173085058
dec-1-ynylarsane
CID 173084883
dodec-1-yne-1-thiol
CID 21451189
1-(76Br)bromooct-1-yne
CID 11665518

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodec-1-yn-1-amine?
The IUPAC name of N,N-dimethyldodec-1-yn-1-amine (CID 175777184) is N,N-dimethyldodec-1-yn-1-amine.
What is the SMILES notation for N,N-dimethyldodec-1-yn-1-amine?
The canonical SMILES for N,N-dimethyldodec-1-yn-1-amine is CCCCCCCCCCC#CN(C)C.
What is the InChIKey of N,N-dimethyldodec-1-yn-1-amine?
The InChIKey is IPAUYBWUOSLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-12H2,1-3H3.
What are the key properties of N,N-dimethyldodec-1-yn-1-amine?
N,N-dimethyldodec-1-yn-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodec-1-yn-1-amine is sourced from PubChem (CID 175777184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).