2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol

C18H37NO — CID 106252194

IUPAC2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-18(7-2,14-20)13-19-16-10-8-9-15(11-12-16)17(3,4)5/h15-16,19-20H,6-14H2,1-5H3
InChIKeyOXGSSKVJXQHVNL-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.37
Rot. Bonds6

About 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106252194) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106252194
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-18(7-2,14-20)13-19-16-10-8-9-15(11-12-16)17(3,4)5/h15-16,19-20H,6-14H2,1-5H3
InChIKeyOXGSSKVJXQHVNL-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol
CID 65107819
2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
CID 114164233
2-[[(1,1-dioxothian-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 81413030
[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol
CID 115320185
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
CID 65089746

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol (CID 106252194) is 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNC1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is OXGSSKVJXQHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-18(7-2,14-20)13-19-16-10-8-9-15(11-12-16)17(3,4)5/h15-16,19-20H,6-14H2,1-5H3.
What are the key properties of 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106252194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).