1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine

C15H29NO — CID 103169057

IUPAC1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C15H29NO/c1-5-12(4)8-14(16-6-2)9-13-10-15(11-13)17-7-3/h13-16H,4-11H2,1-3H3
InChIKeyDLAKTECTKBCRIT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine

1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine (PubChem CID 103169057) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine
PubChem CID103169057
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C15H29NO/c1-5-12(4)8-14(16-6-2)9-13-10-15(11-13)17-7-3/h13-16H,4-11H2,1-3H3
InChIKeyDLAKTECTKBCRIT-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-Dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
CID 155301829
N-butyl-22-hexyl-20-methylidene-2-tridecan-7-yloxyoctacos-1-en-11-amine
CID 174290705
1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164671
1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65164673
N-ethyl-1-(oxan-3-yl)hex-5-en-1-amine
CID 65331821
1-(oxan-3-yl)-N-propylhex-5-en-1-amine
CID 65333411
N-ethyl-3-methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038051
3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine
CID 66038288
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-ethyl-2-methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79179271

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine (CID 103169057) is 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine is C=C(CC)CC(CC1CC(OCC)C1)NCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine?
The InChIKey is DLAKTECTKBCRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-12(4)8-14(16-6-2)9-13-10-15(11-13)17-7-3/h13-16H,4-11H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine?
1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-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 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 103169057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).