1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol

C14H29NO — CID 64568933

IUPAC1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
SMILESCC(C)C(C)CNCC1(O)CCCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)13(3)10-15-11-14(16)8-6-4-5-7-9-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyICLSYTKULNNQLE-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

About 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol

1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol (PubChem CID 64568933) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
PubChem CID64568933
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
SMILESCC(C)C(C)CNCC1(O)CCCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)13(3)10-15-11-14(16)8-6-4-5-7-9-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyICLSYTKULNNQLE-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
CID 114113614
1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
CID 107876214
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
CID 115756769
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
methyl 2-bromo-3-[(1-hydroxycyclohexyl)methylamino]propanoate
CID 103253658
2-acetamido-3-[(1-hydroxycycloheptyl)methylamino]propanoic acid
CID 65122370

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol (CID 64568933) is 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol is CC(C)C(C)CNCC1(O)CCCCCC1.
What is the InChIKey of 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol?
The InChIKey is ICLSYTKULNNQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)13(3)10-15-11-14(16)8-6-4-5-7-9-14/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol?
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 64568933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).