1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol

C17H33NO — CID 63490303

IUPAC1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
SMILESCCC1CCC(CNCC2(O)CCCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-2-15-7-9-16(10-8-15)13-18-14-17(19)11-5-3-4-6-12-17/h15-16,18-19H,2-14H2,1H3
InChIKeyWILFJNSBERJFSQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.88
Rot. Bonds5

About 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol

1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 63490303) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
PubChem CID63490303
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
SMILESCCC1CCC(CNCC2(O)CCCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-2-15-7-9-16(10-8-15)13-18-14-17(19)11-5-3-4-6-12-17/h15-16,18-19H,2-14H2,1H3
InChIKeyWILFJNSBERJFSQ-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
N-(cyclopropylmethyl)-2-[(1-hydroxycyclohexyl)methylamino]acetamide
CID 65108692
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
1-[[(3-ethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105950
N-(cyclopropylmethyl)-2-[(1-hydroxycyclopentyl)methylamino]acetamide
CID 65109211
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 81094795
4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 65115854
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol (CID 63490303) is 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol is CCC1CCC(CNCC2(O)CCCCCC2)CC1.
What is the InChIKey of 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is WILFJNSBERJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-15-7-9-16(10-8-15)13-18-14-17(19)11-5-3-4-6-12-17/h15-16,18-19H,2-14H2,1H3.
What are the key properties of 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 63490303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).