N-but-3-ynyl-4-propylcyclohexan-1-amine

C13H23N — CID 63656858

IUPACN-but-3-ynyl-4-propylcyclohexan-1-amine
SMILESC#CCCNC1CCC(CCC)CC1
InChIInChI=1S/C13H23N/c1-3-5-11-14-13-9-7-12(6-4-2)8-10-13/h1,12-14H,4-11H2,2H3
InChIKeyXEEHPYOLIRUGJZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds5

About N-but-3-ynyl-4-propylcyclohexan-1-amine

N-but-3-ynyl-4-propylcyclohexan-1-amine (PubChem CID 63656858) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-but-3-ynyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-ynyl-4-propylcyclohexan-1-amine
PubChem CID63656858
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-but-3-ynyl-4-propylcyclohexan-1-amine
SMILESC#CCCNC1CCC(CCC)CC1
InChIInChI=1S/C13H23N/c1-3-5-11-14-13-9-7-12(6-4-2)8-10-13/h1,12-14H,4-11H2,2H3
InChIKeyXEEHPYOLIRUGJZ-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.96
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-butyl-4-propylcyclohexan-1-amine
CID 43080052
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
2-(cyclopropylamino)-N-(4-propylcyclohexyl)ethanesulfonamide
CID 106054472
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-(2-propan-2-ylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 106723458
N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113218943
N-but-3-ynyloxan-4-amine
CID 63655853
N-(3,3-dimethylhept-6-ynyl)cyclopropanamine
CID 81022104
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793
N-(2-cyclohexyloxyethyl)-4-propylcyclohexan-1-amine
CID 63826755

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-4-propylcyclohexan-1-amine?
The IUPAC name of N-but-3-ynyl-4-propylcyclohexan-1-amine (CID 63656858) is N-but-3-ynyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-but-3-ynyl-4-propylcyclohexan-1-amine?
The canonical SMILES for N-but-3-ynyl-4-propylcyclohexan-1-amine is C#CCCNC1CCC(CCC)CC1.
What is the InChIKey of N-but-3-ynyl-4-propylcyclohexan-1-amine?
The InChIKey is XEEHPYOLIRUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-5-11-14-13-9-7-12(6-4-2)8-10-13/h1,12-14H,4-11H2,2H3.
What are the key properties of N-but-3-ynyl-4-propylcyclohexan-1-amine?
N-but-3-ynyl-4-propylcyclohexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63656858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).