1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol

C12H24N2O — CID 80562089

IUPAC1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol
SMILESNC1CC(NCC2(O)CCCCCC2)C1
InChIInChI=1S/C12H24N2O/c13-10-7-11(8-10)14-9-12(15)5-3-1-2-4-6-12/h10-11,14-15H,1-9,13H2
InChIKeyAOTBNYMDDMDPRV-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.15
Rot. Bonds3

About 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol

1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol (PubChem CID 80562089) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol
PubChem CID80562089
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol
SMILESNC1CC(NCC2(O)CCCCCC2)C1
InChIInChI=1S/C12H24N2O/c13-10-7-11(8-10)14-9-12(15)5-3-1-2-4-6-12/h10-11,14-15H,1-9,13H2
InChIKeyAOTBNYMDDMDPRV-UHFFFAOYSA-N
XLogP1.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(3-ethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105950
1-[(oxetan-3-ylamino)methyl]cyclohexan-1-ol
CID 65108688
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65107657
4-amino-1-[(cyclopropylamino)methyl]cyclohexan-1-ol
CID 105441357
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
CID 114817712

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol (CID 80562089) is 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol is NC1CC(NCC2(O)CCCCCC2)C1.
What is the InChIKey of 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is AOTBNYMDDMDPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-10-7-11(8-10)14-9-12(15)5-3-1-2-4-6-12/h10-11,14-15H,1-9,13H2.
What are the key properties of 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol?
1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 80562089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).