1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol

C9H17NO — CID 107899296

IUPAC1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol
SMILESC/C=C/CNCC1(O)CCC1
InChIInChI=1S/C9H17NO/c1-2-3-7-10-8-9(11)5-4-6-9/h2-3,10-11H,4-8H2,1H3/b3-2+
InChIKeyLIPMNFGHAGPRPU-NSCUHMNNSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds4

About 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol

1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol (PubChem CID 107899296) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol
PubChem CID107899296
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol
SMILESC/C=C/CNCC1(O)CCC1
InChIInChI=1S/C9H17NO/c1-2-3-7-10-8-9(11)5-4-6-9/h2-3,10-11H,4-8H2,1H3/b3-2+
InChIKeyLIPMNFGHAGPRPU-NSCUHMNNSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[[(E)-but-2-enyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 107899031
1-[(E)-pent-3-enyl]cyclobutan-1-ol
CID 143807113
[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
CID 107899292
1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
CID 65105370
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
methyl 2-ethyl-4-[(1-hydroxycyclobutyl)methylamino]but-2-enoate
CID 103268373
4-(ethylaminomethyl)oxepan-4-ol
CID 65080985
1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
CID 106452596
1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
CID 115756769
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
CID 65087135
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618

Frequently Asked Questions

What is the IUPAC name of 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol (CID 107899296) is 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol is C/C=C/CNCC1(O)CCC1.
What is the InChIKey of 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is LIPMNFGHAGPRPU-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-7-10-8-9(11)5-4-6-9/h2-3,10-11H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol?
1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 107899296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).