N-propylnon-1-en-7-yn-4-amine

C12H21N — CID 116661079

IUPACN-propylnon-1-en-7-yn-4-amine
SMILESC=CCC(CCC#CC)NCCC
InChIInChI=1S/C12H21N/c1-4-7-8-10-12(9-5-2)13-11-6-3/h5,12-13H,2,6,8-11H2,1,3H3
InChIKeyCZCXQOWNXITXTR-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds7

About N-propylnon-1-en-7-yn-4-amine

N-propylnon-1-en-7-yn-4-amine (PubChem CID 116661079) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-propylnon-1-en-7-yn-4-amine.

Molecular Properties

Compound NameN-propylnon-1-en-7-yn-4-amine
PubChem CID116661079
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-propylnon-1-en-7-yn-4-amine
SMILESC=CCC(CCC#CC)NCCC
InChIInChI=1S/C12H21N/c1-4-7-8-10-12(9-5-2)13-11-6-3/h5,12-13H,2,6,8-11H2,1,3H3
InChIKeyCZCXQOWNXITXTR-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propylhepta-1,6-dien-4-amine
CID 88756960
N-propylheptadec-2-yn-6-amine
CID 105037149
N-propyldodec-2-yn-6-amine
CID 105037370
1-cycloheptyl-N-propylhept-5-yn-2-amine
CID 105037098
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
CID 104805231
1-(1-adamantyl)-N-propylhept-5-yn-2-amine
CID 105037455
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793
N-propyl-1-pyridin-2-yloct-6-yn-3-amine
CID 105181373
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
CID 105181594

Frequently Asked Questions

What is the IUPAC name of N-propylnon-1-en-7-yn-4-amine?
The IUPAC name of N-propylnon-1-en-7-yn-4-amine (CID 116661079) is N-propylnon-1-en-7-yn-4-amine.
What is the SMILES notation for N-propylnon-1-en-7-yn-4-amine?
The canonical SMILES for N-propylnon-1-en-7-yn-4-amine is C=CCC(CCC#CC)NCCC.
What is the InChIKey of N-propylnon-1-en-7-yn-4-amine?
The InChIKey is CZCXQOWNXITXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-8-10-12(9-5-2)13-11-6-3/h5,12-13H,2,6,8-11H2,1,3H3.
What are the key properties of N-propylnon-1-en-7-yn-4-amine?
N-propylnon-1-en-7-yn-4-amine has a molecular weight of 179.31 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylnon-1-en-7-yn-4-amine is sourced from PubChem (CID 116661079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).