N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C15H27NO — CID 64851356

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C1(C)C
InChIInChI=1S/C15H27NO/c1-4-17-14-10-13(15(14,2)3)16-11-12-8-6-5-7-9-12/h5-6,12-14,16H,4,7-11H2,1-3H3
InChIKeyQAVBKZSHDGMPOK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64851356) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64851356
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C1(C)C
InChIInChI=1S/C15H27NO/c1-4-17-14-10-13(15(14,2)3)16-11-12-8-6-5-7-9-12/h5-6,12-14,16H,4,7-11H2,1-3H3
InChIKeyQAVBKZSHDGMPOK-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 43183150
N-(3-propan-2-yloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223206
N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43225559
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
N-(6-bicyclo[3.2.0]hept-3-enyl)oxan-4-amine
CID 43778516
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine
CID 55077519
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine
CID 55078151
N-(cyclohex-3-en-1-ylmethyl)-4-methoxybutan-2-amine
CID 61950360
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62455167
N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine
CID 62455184

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64851356) is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCC2CC=CCC2)C1(C)C.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is QAVBKZSHDGMPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-17-14-10-13(15(14,2)3)16-11-12-8-6-5-7-9-12/h5-6,12-14,16H,4,7-11H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64851356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).