N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine

C18H25N — CID 115723560

IUPACN-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
SMILESC#CCC(CC)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N/c1-3-8-17(4-2)19-18-13-11-16(12-14-18)15-9-6-5-7-10-15/h1,5-7,9-10,16-19H,4,8,11-14H2,2H3
InChIKeyNZLORNPCRFOKQS-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.10
Rot. Bonds5

About N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine

N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine (PubChem CID 115723560) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
PubChem CID115723560
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
SMILESC#CCC(CC)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N/c1-3-8-17(4-2)19-18-13-11-16(12-14-18)15-9-6-5-7-10-15/h1,5-7,9-10,16-19H,4,8,11-14H2,2H3
InChIKeyNZLORNPCRFOKQS-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
CID 106224805
N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
CID 103786007
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
CID 115723624
N-hex-5-yn-3-ylthian-4-amine
CID 115723527
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
cyclopropylbenzene;ethylhydrazine
CID 22346635
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638
4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine
CID 115672929
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine?
The IUPAC name of N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine (CID 115723560) is N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine is C#CCC(CC)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine?
The InChIKey is NZLORNPCRFOKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-3-8-17(4-2)19-18-13-11-16(12-14-18)15-9-6-5-7-10-15/h1,5-7,9-10,16-19H,4,8,11-14H2,2H3.
What are the key properties of N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine?
N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 115723560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).