1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine

C12H23NO — CID 103559559

IUPAC1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)CC1(OC)CCC1
InChIInChI=1S/C12H23NO/c1-4-10(2)8-11(13)9-12(14-3)6-5-7-12/h11H,2,4-9,13H2,1,3H3
InChIKeyWNVSSGRHLNCYOI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds6

About 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine

1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine (PubChem CID 103559559) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine
PubChem CID103559559
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)CC1(OC)CCC1
InChIInChI=1S/C12H23NO/c1-4-10(2)8-11(13)9-12(14-3)6-5-7-12/h11H,2,4-9,13H2,1,3H3
InChIKeyWNVSSGRHLNCYOI-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
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-Methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79197661
2-Methoxy-2-methylnon-8-en-4-amine
CID 103027272
6-Methoxy-2,6-dimethylhept-1-en-4-amine
CID 103028492
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 103028503
2-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028504
N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028505
2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
CID 103028506
2-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 103029362
2-Methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029363
N-ethyl-2-methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029364
2-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 103029365
1-(3-Ethoxycyclobutyl)-4-methylpent-4-en-2-amine
CID 103169031

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine (CID 103559559) is 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine is C=C(CC)CC(N)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine?
The InChIKey is WNVSSGRHLNCYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)8-11(13)9-12(14-3)6-5-7-12/h11H,2,4-9,13H2,1,3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine?
1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-4-methylidenehexan-2-amine is sourced from PubChem (CID 103559559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).