N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine

C12H23NO — CID 103559098

IUPACN-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine
SMILESC=CCC(CC1(OC)CCC1)NCC
InChIInChI=1S/C12H23NO/c1-4-7-11(13-5-2)10-12(14-3)8-6-9-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyZKRGKFQTHNEOCF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine

N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine (PubChem CID 103559098) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine
PubChem CID103559098
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine
SMILESC=CCC(CC1(OC)CCC1)NCC
InChIInChI=1S/C12H23NO/c1-4-7-11(13-5-2)10-12(14-3)8-6-9-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyZKRGKFQTHNEOCF-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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

6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964
6-methoxy-6-methyl-N-propylhept-1-en-4-amine
CID 103024965
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271
N-ethyl-2-methoxy-2-methylnon-8-en-4-amine
CID 103027273
2-methoxy-2-methyl-N-propylnon-8-en-4-amine
CID 103027274
2-methoxy-N,2-dimethyloct-7-en-4-amine
CID 103027275
N-ethyl-2-methoxy-2-methyloct-7-en-4-amine
CID 103027277
2-methoxy-2-methyl-N-propyloct-7-en-4-amine
CID 103027278
N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028505
2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
CID 103028506
N-ethyl-2-methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine (CID 103559098) is N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine is C=CCC(CC1(OC)CCC1)NCC.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine?
The InChIKey is ZKRGKFQTHNEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-11(13-5-2)10-12(14-3)8-6-9-12/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine?
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine is sourced from PubChem (CID 103559098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).