4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine

C18H37NO — CID 63473832

IUPAC4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1OCCC(C)C
InChIInChI=1S/C18H37NO/c1-7-11-19-16-9-8-15(18(4,5)6)13-17(16)20-12-10-14(2)3/h14-17,19H,7-13H2,1-6H3
InChIKeyYZQTZJADDSQYEW-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.63
Rot. Bonds7

About 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine

4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine (PubChem CID 63473832) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
PubChem CID63473832
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1OCCC(C)C
InChIInChI=1S/C18H37NO/c1-7-11-19-16-9-8-15(18(4,5)6)13-17(16)20-12-10-14(2)3/h14-17,19H,7-13H2,1-6H3
InChIKeyYZQTZJADDSQYEW-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine (CID 63473832) is 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1OCCC(C)C.
What is the InChIKey of 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine?
The InChIKey is YZQTZJADDSQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-11-19-16-9-8-15(18(4,5)6)13-17(16)20-12-10-14(2)3/h14-17,19H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine?
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63473832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).