N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide

C15H26N2O — CID 114028634

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)C1CCCCC1CN
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-11-15(18)17(2)14-10-8-7-9-13(14)12-16/h1,13-14H,4-12,16H2,2H3
InChIKeyUFCABPQTEJCSAH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide

N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide (PubChem CID 114028634) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide
PubChem CID114028634
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)C1CCCCC1CN
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-11-15(18)17(2)14-10-8-7-9-13(14)12-16/h1,13-14H,4-12,16H2,2H3
InChIKeyUFCABPQTEJCSAH-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide (CID 114028634) is N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide is C#CCCCCC(=O)N(C)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide?
The InChIKey is UFCABPQTEJCSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-5-6-11-15(18)17(2)14-10-8-7-9-13(14)12-16/h1,13-14H,4-12,16H2,2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide?
N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide has a molecular weight of 250.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide is sourced from PubChem (CID 114028634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).