6-cyclopropyl-N-propylhex-4-yn-1-amine

C12H21N — CID 138569373

IUPAC6-cyclopropyl-N-propylhex-4-yn-1-amine
SMILESCCCNCCCC#CCC1CC1
InChIInChI=1S/C12H21N/c1-2-10-13-11-6-4-3-5-7-12-8-9-12/h12-13H,2,4,6-11H2,1H3
InChIKeyWBGAQNWDCYWWPP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds6

About 6-cyclopropyl-N-propylhex-4-yn-1-amine

6-cyclopropyl-N-propylhex-4-yn-1-amine (PubChem CID 138569373) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-cyclopropyl-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-propylhex-4-yn-1-amine
PubChem CID138569373
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-cyclopropyl-N-propylhex-4-yn-1-amine
SMILESCCCNCCCC#CCC1CC1
InChIInChI=1S/C12H21N/c1-2-10-13-11-6-4-3-5-7-12-8-9-12/h12-13H,2,4,6-11H2,1H3
InChIKeyWBGAQNWDCYWWPP-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
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

4-cyclopropyl-N-propylbutan-1-amine
CID 57222613
6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen
CID 155740482
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
5-phenyl-N-propylpent-4-yn-1-amine
CID 11401415
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-[(4-ethylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106012793
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
CID 107001505
N-propylhexadecan-1-amine
CID 18792182

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-propylhex-4-yn-1-amine?
The IUPAC name of 6-cyclopropyl-N-propylhex-4-yn-1-amine (CID 138569373) is 6-cyclopropyl-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 6-cyclopropyl-N-propylhex-4-yn-1-amine?
The canonical SMILES for 6-cyclopropyl-N-propylhex-4-yn-1-amine is CCCNCCCC#CCC1CC1.
What is the InChIKey of 6-cyclopropyl-N-propylhex-4-yn-1-amine?
The InChIKey is WBGAQNWDCYWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-10-13-11-6-4-3-5-7-12-8-9-12/h12-13H,2,4,6-11H2,1H3.
What are the key properties of 6-cyclopropyl-N-propylhex-4-yn-1-amine?
6-cyclopropyl-N-propylhex-4-yn-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-propylhex-4-yn-1-amine is sourced from PubChem (CID 138569373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).