3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine

C15H29NO — CID 114119160

IUPAC3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
SMILESC=CCCCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C15H29NO/c1-5-7-8-9-10-11-16-13-12-14(17-6-2)15(13,3)4/h5,13-14,16H,1,6-12H2,2-4H3
InChIKeyWRBCKZWRPPMACO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds9

About 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 114119160) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
PubChem CID114119160
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
SMILESC=CCCCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C15H29NO/c1-5-7-8-9-10-11-16-13-12-14(17-6-2)15(13,3)4/h5,13-14,16H,1,6-12H2,2-4H3
InChIKeyWRBCKZWRPPMACO-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
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'}

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Related Compounds

3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
3-ethoxy-2,2-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclobutan-1-amine
CID 115906268
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 103922077
N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
CID 114119731
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine
CID 103921124
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine (CID 114119160) is 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine is C=CCCCCCNC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is WRBCKZWRPPMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-7-8-9-10-11-16-13-12-14(17-6-2)15(13,3)4/h5,13-14,16H,1,6-12H2,2-4H3.
What are the key properties of 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114119160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).