N-hex-5-ynyl-4-phenylcyclohexan-1-amine

C18H25N — CID 103903638

IUPACN-hex-5-ynyl-4-phenylcyclohexan-1-amine
SMILESC#CCCCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N/c1-2-3-4-8-15-19-18-13-11-17(12-14-18)16-9-6-5-7-10-16/h1,5-7,9-10,17-19H,3-4,8,11-15H2
InChIKeyHGYUPFSQZOPPCX-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.11
Rot. Bonds6

About N-hex-5-ynyl-4-phenylcyclohexan-1-amine

N-hex-5-ynyl-4-phenylcyclohexan-1-amine (PubChem CID 103903638) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-hex-5-ynyl-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-4-phenylcyclohexan-1-amine
PubChem CID103903638
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-hex-5-ynyl-4-phenylcyclohexan-1-amine
SMILESC#CCCCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N/c1-2-3-4-8-15-19-18-13-11-17(12-14-18)16-9-6-5-7-10-16/h1,5-7,9-10,17-19H,3-4,8,11-15H2
InChIKeyHGYUPFSQZOPPCX-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.11
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-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 106841006
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
CID 103779816
4-(hex-5-ynylamino)cyclohexan-1-ol
CID 106209793
4-(hept-6-ynylamino)cyclohexan-1-ol
CID 168832781
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 113348886
N-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
CID 103903582

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-4-phenylcyclohexan-1-amine?
The IUPAC name of N-hex-5-ynyl-4-phenylcyclohexan-1-amine (CID 103903638) is N-hex-5-ynyl-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-hex-5-ynyl-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-hex-5-ynyl-4-phenylcyclohexan-1-amine is C#CCCCCNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-hex-5-ynyl-4-phenylcyclohexan-1-amine?
The InChIKey is HGYUPFSQZOPPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-3-4-8-15-19-18-13-11-17(12-14-18)16-9-6-5-7-10-16/h1,5-7,9-10,17-19H,3-4,8,11-15H2.
What are the key properties of N-hex-5-ynyl-4-phenylcyclohexan-1-amine?
N-hex-5-ynyl-4-phenylcyclohexan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 103903638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).