1-cycloheptylhept-6-yn-2-amine

C14H25N — CID 105034110

IUPAC1-cycloheptylhept-6-yn-2-amine
SMILESC#CCCCC(N)CC1CCCCCC1
InChIInChI=1S/C14H25N/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h1,13-14H,3-12,15H2
InChIKeyMJKDYXCZTWECGU-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.48
Rot. Bonds5

About 1-cycloheptylhept-6-yn-2-amine

1-cycloheptylhept-6-yn-2-amine (PubChem CID 105034110) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-cycloheptylhept-6-yn-2-amine.

Molecular Properties

Compound Name1-cycloheptylhept-6-yn-2-amine
PubChem CID105034110
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-cycloheptylhept-6-yn-2-amine
SMILESC#CCCCC(N)CC1CCCCCC1
InChIInChI=1S/C14H25N/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h1,13-14H,3-12,15H2
InChIKeyMJKDYXCZTWECGU-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 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 ≤ 53.48
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-amino-5-cyclohexylpentan-1-ol
CID 82406010
1-cycloheptylheptan-2-amine
CID 115837607
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
1-cyclopentyldecan-2-amine
CID 115835607
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
1-cyclooctylpent-4-yn-1-amine
CID 80603767
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-(7-bicyclo[4.1.0]heptanyl)hex-5-yn-1-amine
CID 105034183
2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
CID 114264857
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
1-cyclobutylhex-5-yn-2-ol
CID 103170011

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylhept-6-yn-2-amine?
The IUPAC name of 1-cycloheptylhept-6-yn-2-amine (CID 105034110) is 1-cycloheptylhept-6-yn-2-amine.
What is the SMILES notation for 1-cycloheptylhept-6-yn-2-amine?
The canonical SMILES for 1-cycloheptylhept-6-yn-2-amine is C#CCCCC(N)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptylhept-6-yn-2-amine?
The InChIKey is MJKDYXCZTWECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h1,13-14H,3-12,15H2.
What are the key properties of 1-cycloheptylhept-6-yn-2-amine?
1-cycloheptylhept-6-yn-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylhept-6-yn-2-amine is sourced from PubChem (CID 105034110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).