1-(1-methoxycyclobutyl)but-3-en-2-amine

C9H17NO — CID 103559519

IUPAC1-(1-methoxycyclobutyl)but-3-en-2-amine
SMILESC=CC(N)CC1(OC)CCC1
InChIInChI=1S/C9H17NO/c1-3-8(10)7-9(11-2)5-4-6-9/h3,8H,1,4-7,10H2,2H3
InChIKeyCJZZXNHAPFOCSJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds4

About 1-(1-methoxycyclobutyl)but-3-en-2-amine

1-(1-methoxycyclobutyl)but-3-en-2-amine (PubChem CID 103559519) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)but-3-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)but-3-en-2-amine
PubChem CID103559519
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(1-methoxycyclobutyl)but-3-en-2-amine
SMILESC=CC(N)CC1(OC)CCC1
InChIInChI=1S/C9H17NO/c1-3-8(10)7-9(11-2)5-4-6-9/h3,8H,1,4-7,10H2,2H3
InChIKeyCJZZXNHAPFOCSJ-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
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

5-Methoxy-5-methylhept-1-en-4-amine
CID 116757253
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
2-Methoxy-2-methyloct-7-en-4-amine
CID 103027276
5-Methoxy-5-methylhex-1-en-3-amine
CID 103028038
2-(1-Pent-4-enoxycyclobutyl)ethanamine
CID 103274236
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-2-amine
CID 103559098
1-(1-methoxycyclobutyl)-N-propylpent-4-en-2-amine
CID 103559099
1-(1-methoxycyclobutyl)-N-methylpent-4-en-2-amine
CID 103559100
1-(1-Methoxycyclobutyl)pent-4-en-2-amine
CID 103559101
1-(1-Methoxycyclobutyl)hept-6-en-2-amine
CID 103559404
1-(1-methoxycyclobutyl)-N-methylhex-5-en-2-amine
CID 103559407
1-(1-Methoxycyclobutyl)hex-5-en-2-amine
CID 103559408

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)but-3-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)but-3-en-2-amine (CID 103559519) is 1-(1-methoxycyclobutyl)but-3-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)but-3-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)but-3-en-2-amine is C=CC(N)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)but-3-en-2-amine?
The InChIKey is CJZZXNHAPFOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(10)7-9(11-2)5-4-6-9/h3,8H,1,4-7,10H2,2H3.
What are the key properties of 1-(1-methoxycyclobutyl)but-3-en-2-amine?
1-(1-methoxycyclobutyl)but-3-en-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)but-3-en-2-amine is sourced from PubChem (CID 103559519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).