N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C16H27N — CID 114158528

IUPACN-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESC#CCCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H27N/c1-5-6-7-8-11-17-14-12-13-9-10-16(14,4)15(13,2)3/h1,13-14,17H,6-12H2,2-4H3
InChIKeyNKNPTHOJMPUTIL-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.59
Rot. Bonds5

About N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 114158528) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID114158528
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESC#CCCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H27N/c1-5-6-7-8-11-17-14-12-13-9-10-16(14,4)15(13,2)3/h1,13-14,17H,6-12H2,2-4H3
InChIKeyNKNPTHOJMPUTIL-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.59
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-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662731
N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 106008535
N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115572582
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine
CID 60669267
sulfuric acid;2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethanethiol
CID 71439540
3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952197
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 114158528) is N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is C#CCCCCNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is NKNPTHOJMPUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-7-8-11-17-14-12-13-9-10-16(14,4)15(13,2)3/h1,13-14,17H,6-12H2,2-4H3.
What are the key properties of N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114158528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).