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

C13H25NO — CID 103559548

IUPACN-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)CC1(OC)CCC1
InChIInChI=1S/C13H25NO/c1-5-14-12(9-11(2)3)10-13(15-4)7-6-8-13/h9,12,14H,5-8,10H2,1-4H3
InChIKeyWWZKSQDLLAPNFR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds6

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

N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine (PubChem CID 103559548) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine
PubChem CID103559548
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)CC1(OC)CCC1
InChIInChI=1S/C13H25NO/c1-5-14-12(9-11(2)3)10-13(15-4)7-6-8-13/h9,12,14H,5-8,10H2,1-4H3
InChIKeyWWZKSQDLLAPNFR-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
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-5-methoxy-1,5-dimethylcyclohex-2-en-1-amine
CID 67926724
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
6-methoxy-N,2,6-trimethylhept-2-en-4-amine
CID 103028495
N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine
CID 103028497
6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine
CID 103028498
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methoxybutan-2-amine
CID 103276830
1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556339
N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556340
1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556342
1-(cyclopenten-1-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556343

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine (CID 103559548) is N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine is CCNC(C=C(C)C)CC1(OC)CCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine?
The InChIKey is WWZKSQDLLAPNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-14-12(9-11(2)3)10-13(15-4)7-6-8-13/h9,12,14H,5-8,10H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine?
N-ethyl-1-(1-methoxycyclobutyl)-4-methylpent-3-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 6 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)-4-methylpent-3-en-2-amine is sourced from PubChem (CID 103559548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).