1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine

C14H27NO — CID 103169033

IUPAC1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C14H27NO/c1-5-15-13(7-11(3)4)8-12-9-14(10-12)16-6-2/h12-15H,3,5-10H2,1-2,4H3
InChIKeyCCTMYUMPXNQDMB-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds8

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

1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine (PubChem CID 103169033) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine
PubChem CID103169033
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C14H27NO/c1-5-15-13(7-11(3)4)8-12-9-14(10-12)16-6-2/h12-15H,3,5-10H2,1-2,4H3
InChIKeyCCTMYUMPXNQDMB-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
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

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CID 155301829
N-butyl-22-hexyl-20-methylidene-2-tridecan-7-yloxyoctacos-1-en-11-amine
CID 174290705
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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-methylpent-4-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine (CID 103169033) is 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine is C=C(C)CC(CC1CC(OCC)C1)NCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine?
The InChIKey is CCTMYUMPXNQDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-15-13(7-11(3)4)8-12-9-14(10-12)16-6-2/h12-15H,3,5-10H2,1-2,4H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine?
1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 8 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-methylpent-4-en-2-amine is sourced from PubChem (CID 103169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).