N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine

C16H29N — CID 113374324

IUPACN-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)C1CCCC(CC)C1
InChIInChI=1S/C16H29N/c1-4-7-8-12-16(17-6-3)15-11-9-10-14(5-2)13-15/h1,14-17H,5-13H2,2-3H3
InChIKeyBZTFKUBIKXIVAP-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds7

About N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine

N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine (PubChem CID 113374324) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
PubChem CID113374324
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)C1CCCC(CC)C1
InChIInChI=1S/C16H29N/c1-4-7-8-12-16(17-6-3)15-11-9-10-14(5-2)13-15/h1,14-17H,5-13H2,2-3H3
InChIKeyBZTFKUBIKXIVAP-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
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'}

Analyze N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-cyclobutyl-N-ethylpent-4-yn-1-amine
CID 64987162
N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
CID 107009239
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
CID 105156239
N-ethyl-1-(3-ethylcyclopentyl)hexan-1-amine
CID 65409647
1-(4-ethylcyclohexyl)hex-5-ynylhydrazine
CID 105231468
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
CID 79411539
N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135592
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179551

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine?
The IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine (CID 113374324) is N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine is C#CCCCC(NCC)C1CCCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine?
The InChIKey is BZTFKUBIKXIVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-4-7-8-12-16(17-6-3)15-11-9-10-14(5-2)13-15/h1,14-17H,5-13H2,2-3H3.
What are the key properties of N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine?
N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine is sourced from PubChem (CID 113374324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).