N-(cycloheptylmethyl)hex-5-yn-3-amine

C14H25N — CID 115685744

IUPACN-(cycloheptylmethyl)hex-5-yn-3-amine
SMILESC#CCC(CC)NCC1CCCCCC1
InChIInChI=1S/C14H25N/c1-3-9-14(4-2)15-12-13-10-7-5-6-8-11-13/h1,13-15H,4-12H2,2H3
InChIKeyLCOCKTDJAPITEN-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.35
Rot. Bonds5

About N-(cycloheptylmethyl)hex-5-yn-3-amine

N-(cycloheptylmethyl)hex-5-yn-3-amine (PubChem CID 115685744) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(cycloheptylmethyl)hex-5-yn-3-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)hex-5-yn-3-amine
PubChem CID115685744
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(cycloheptylmethyl)hex-5-yn-3-amine
SMILESC#CCC(CC)NCC1CCCCCC1
InChIInChI=1S/C14H25N/c1-3-9-14(4-2)15-12-13-10-7-5-6-8-11-13/h1,13-15H,4-12H2,2H3
InChIKeyLCOCKTDJAPITEN-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.35
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'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
CID 44288500
N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
CID 487178
3,5,5-Trimethyl-n-(4-methylpent-1-yn-3-yl)hexan-1-amine
CID 221347
n,5,7,7-Tetramethyloct-1-yn-3-amine
CID 221561
5-Methyl-2-(propan-2-yl)azepane
CID 300307
N-ethyl-3-methylnonan-2-amine
CID 60995734
(2R)-2-[(2R)-butan-2-yl]azepane
CID 92208703
(2R)-2-[(2S)-butan-2-yl]azepane
CID 92208704
Hexahydro-4-methyl-2-propyl-1H-azepine
CID 129808942
(4R,7S)-2,4-dimethyl-7-propan-2-ylazepane
CID 130888278
alpha-Methyl-N-2-propynylcyclohexaneethylamine hydrochloride
CID 11971762
N-(2-fluoroethyl)-2-methylcycloheptan-1-amine
CID 80695994

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)hex-5-yn-3-amine?
The IUPAC name of N-(cycloheptylmethyl)hex-5-yn-3-amine (CID 115685744) is N-(cycloheptylmethyl)hex-5-yn-3-amine.
What is the SMILES notation for N-(cycloheptylmethyl)hex-5-yn-3-amine?
The canonical SMILES for N-(cycloheptylmethyl)hex-5-yn-3-amine is C#CCC(CC)NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)hex-5-yn-3-amine?
The InChIKey is LCOCKTDJAPITEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-9-14(4-2)15-12-13-10-7-5-6-8-11-13/h1,13-15H,4-12H2,2H3.
What are the key properties of N-(cycloheptylmethyl)hex-5-yn-3-amine?
N-(cycloheptylmethyl)hex-5-yn-3-amine has a molecular weight of 207.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)hex-5-yn-3-amine is sourced from PubChem (CID 115685744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).