4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C16H31NO — CID 43081471

IUPAC4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C16H31NO/c1-4-16(2,3)13-7-9-14(10-8-13)17-12-15-6-5-11-18-15/h13-15,17H,4-12H2,1-3H3
InChIKeyMDDCRWLTEZTTMG-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 43081471) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID43081471
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C16H31NO/c1-4-16(2,3)13-7-9-14(10-8-13)17-12-15-6-5-11-18-15/h13-15,17H,4-12H2,1-3H3
InChIKeyMDDCRWLTEZTTMG-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 43081471) is 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is MDDCRWLTEZTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-16(2,3)13-7-9-14(10-8-13)17-12-15-6-5-11-18-15/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43081471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).