1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol

C12H25NO — CID 89249344

IUPAC1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol
SMILESCCCC1CCC1N(C)C(O)CCC
InChIInChI=1S/C12H25NO/c1-4-6-10-8-9-11(10)13(3)12(14)7-5-2/h10-12,14H,4-9H2,1-3H3
InChIKeyBTAOBIKDLXAABC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.62
Rot. Bonds6

About 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol

1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol (PubChem CID 89249344) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol.

Molecular Properties

Compound Name1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol
PubChem CID89249344
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol
SMILESCCCC1CCC1N(C)C(O)CCC
InChIInChI=1S/C12H25NO/c1-4-6-10-8-9-11(10)13(3)12(14)7-5-2/h10-12,14H,4-9H2,1-3H3
InChIKeyBTAOBIKDLXAABC-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol
CID 71071365
1-[methyl-(2-propylcyclopentyl)amino]propan-1-ol
CID 89249353
1-[methyl-(2-propan-2-ylcyclopropyl)amino]butan-1-ol
CID 89249188
1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol
CID 71071088
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399
1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol
CID 71071156
N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998398
1-[(2,4-dimethylcyclobutyl)-methylamino]butan-1-ol
CID 89249287
(2S)-2-amino-3-[3-[[(2S,4S)-4-ethyl-3-(hydroxymethylamino)-2-methylcyclohexyl]-methylamino]-3-hydroxypropyl]cyclopropan-1-ol
CID 163491369
3-[propan-2-yl(propyl)amino]-4-propylcyclohexan-1-ol
CID 165497914
2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine
CID 80998114
2-methyl-1,3-dipropylcyclopentane
CID 90887551

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol?
The IUPAC name of 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol (CID 89249344) is 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol.
What is the SMILES notation for 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol?
The canonical SMILES for 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol is CCCC1CCC1N(C)C(O)CCC.
What is the InChIKey of 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol?
The InChIKey is BTAOBIKDLXAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-10-8-9-11(10)13(3)12(14)7-5-2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol?
1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-propylcyclobutyl)amino]butan-1-ol is sourced from PubChem (CID 89249344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).