1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine

C13H25NO — CID 103169030

IUPAC1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(CC1CC(OCC)C1)NC
InChIInChI=1S/C13H25NO/c1-5-15-13-8-11(9-13)7-12(14-4)6-10(2)3/h11-14H,2,5-9H2,1,3-4H3
InChIKeyGMWSFGLKHBISJE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine

1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine (PubChem CID 103169030) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine
PubChem CID103169030
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(CC1CC(OCC)C1)NC
InChIInChI=1S/C13H25NO/c1-5-15-13-8-11(9-13)7-12(14-4)6-10(2)3/h11-14H,2,5-9H2,1,3-4H3
InChIKeyGMWSFGLKHBISJE-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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-butyl-22-hexyl-20-methylidene-2-tridecan-7-yloxyoctacos-1-en-11-amine
CID 174290705
N-methyl-1-(oxan-3-yl)hex-5-en-1-amine
CID 65331918
N-methyl-3-methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038050
N-methyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038290
N-ethyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038291
3-methylidene-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 66038529
N,2-dimethyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79179054
N,3-dimethyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184857
N-ethyl-3-methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184966
3-methyl-1-(oxan-3-yl)-N-propylbut-3-en-1-amine
CID 79184967
N-methyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80175079
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163057

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine (CID 103169030) is 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine is C=C(C)CC(CC1CC(OCC)C1)NC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine?
The InChIKey is GMWSFGLKHBISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-15-13-8-11(9-13)7-12(14-4)6-10(2)3/h11-14H,2,5-9H2,1,3-4H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine?
1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine is sourced from PubChem (CID 103169030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).