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

C11H21NO — CID 103559100

IUPAC1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(CC1(OC)CCC1)NC
InChIInChI=1S/C11H21NO/c1-4-6-10(12-2)9-11(13-3)7-5-8-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyATBHOZUJNXBOEJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

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

1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine (PubChem CID 103559100) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine
PubChem CID103559100
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(CC1(OC)CCC1)NC
InChIInChI=1S/C11H21NO/c1-4-6-10(12-2)9-11(13-3)7-5-8-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyATBHOZUJNXBOEJ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 103028503
2-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 103029362
7-methoxy-N,7-dimethyloct-1-en-4-amine
CID 103036044

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine (CID 103559100) is 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine is C=CCC(CC1(OC)CCC1)NC.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine?
The InChIKey is ATBHOZUJNXBOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-10(12-2)9-11(13-3)7-5-8-11/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine?
1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 103559100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).