5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol

C18H37NO — CID 106144752

IUPAC5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-17(2,3)15-8-6-9-16(11-10-15)19-14-18(4,5)12-7-13-20/h15-16,19-20H,6-14H2,1-5H3
InChIKeyRRUDVLMJLCHWHK-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.37
Rot. Bonds6

About 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol

5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106144752) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106144752
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-17(2,3)15-8-6-9-16(11-10-15)19-14-18(4,5)12-7-13-20/h15-16,19-20H,6-14H2,1-5H3
InChIKeyRRUDVLMJLCHWHK-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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol (CID 106144752) is 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNC1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is RRUDVLMJLCHWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-17(2,3)15-8-6-9-16(11-10-15)19-14-18(4,5)12-7-13-20/h15-16,19-20H,6-14H2,1-5H3.
What are the key properties of 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol?
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-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 5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).