2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol

C15H30N2O — CID 114629183

IUPAC2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
SMILESCCCN1CCCC(NC2CC(O)C2(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-4-8-17-9-5-6-12(7-10-17)16-13-11-14(18)15(13,2)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyAFOUXCAOTUANNI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds4

About 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol (PubChem CID 114629183) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
PubChem CID114629183
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
SMILESCCCN1CCCC(NC2CC(O)C2(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-4-8-17-9-5-6-12(7-10-17)16-13-11-14(18)15(13,2)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyAFOUXCAOTUANNI-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
N-methyl-1-propylazepan-4-amine
CID 65072873
2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol
CID 112633891
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
[3-[(1-propylpiperidin-4-yl)amino]cyclohexyl]methanol
CID 112753304
3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
CID 106120879
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
CID 112633285
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358
N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65073049
1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79927122

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol (CID 114629183) is 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol is CCCN1CCCC(NC2CC(O)C2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol?
The InChIKey is AFOUXCAOTUANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-8-17-9-5-6-12(7-10-17)16-13-11-14(18)15(13,2)3/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 114629183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).