N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine

C16H29N — CID 114158519

IUPACN-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESC#CCCCCNC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N/c1-5-6-7-8-11-17-16-12-14(4)9-10-15(16)13(2)3/h1,13-17H,6-12H2,2-4H3
InChIKeyVPWOCSXXVZGNBA-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.84
Rot. Bonds6

About N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 114158519) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID114158519
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESC#CCCCCNC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N/c1-5-6-7-8-11-17-16-12-14(4)9-10-15(16)13(2)3/h1,13-17H,6-12H2,2-4H3
InChIKeyVPWOCSXXVZGNBA-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.84
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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Launch Full Analysis

Related Compounds

4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 113326984
5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 113261734
N-hex-5-ynyl-2-methylcyclopentan-1-amine
CID 115694131
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43105975
5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 106324727

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 114158519) is N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine is C#CCCCCNC1CC(C)CCC1C(C)C.
What is the InChIKey of N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is VPWOCSXXVZGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-5-6-7-8-11-17-16-12-14(4)9-10-15(16)13(2)3/h1,13-17H,6-12H2,2-4H3.
What are the key properties of N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.84, 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-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114158519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).