N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C16H31NO — CID 106397216

IUPACN-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESC=CCCOCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-6-7-9-18-10-8-17-14-11-15(2,3)13-16(4,5)12-14/h6,14,17H,1,7-13H2,2-5H3
InChIKeyOQUNNRVQZHIUHM-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.77
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 106397216) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID106397216
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESC=CCCOCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-6-7-9-18-10-8-17-14-11-15(2,3)13-16(4,5)12-14/h6,14,17H,1,7-13H2,2-5H3
InChIKeyOQUNNRVQZHIUHM-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-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-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966111
N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
N-(2-but-3-enoxyethyl)thian-4-amine
CID 115770559
N-(2-but-3-enoxyethyl)spiro[4.5]decan-8-amine
CID 106396988
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682122
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 106397216) is N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is C=CCCOCCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is OQUNNRVQZHIUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-7-9-18-10-8-17-14-11-15(2,3)13-16(4,5)12-14/h6,14,17H,1,7-13H2,2-5H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 106397216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).