1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine

C16H33NO — CID 62108397

IUPAC1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESCCC(C)OC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-7-13(2)18-16(12-17-6)10-8-14(9-11-16)15(3,4)5/h13-14,17H,7-12H2,1-6H3
InChIKeyQJCCVJOKCJFZSS-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds5

About 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine

1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine (PubChem CID 62108397) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
PubChem CID62108397
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESCCC(C)OC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-7-13(2)18-16(12-17-6)10-8-14(9-11-16)15(3,4)5/h13-14,17H,7-12H2,1-6H3
InChIKeyQJCCVJOKCJFZSS-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine (CID 62108397) is 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine is CCC(C)OC1(CNC)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine?
The InChIKey is QJCCVJOKCJFZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-13(2)18-16(12-17-6)10-8-14(9-11-16)15(3,4)5/h13-14,17H,7-12H2,1-6H3.
What are the key properties of 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine?
1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 62108397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).