4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine

C17H35NO — CID 65089987

IUPAC4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
SMILESCOCC(NC1CCCC(C(C)(C)C)CC1)C(C)C
InChIInChI=1S/C17H35NO/c1-13(2)16(12-19-6)18-15-9-7-8-14(10-11-15)17(3,4)5/h13-16,18H,7-12H2,1-6H3
InChIKeyLVMNWCYTFDTQFB-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds5

About 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine

4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine (PubChem CID 65089987) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
PubChem CID65089987
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
SMILESCOCC(NC1CCCC(C(C)(C)C)CC1)C(C)C
InChIInChI=1S/C17H35NO/c1-13(2)16(12-19-6)18-15-9-7-8-14(10-11-15)17(3,4)5/h13-16,18H,7-12H2,1-6H3
InChIKeyLVMNWCYTFDTQFB-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine (CID 65089987) is 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine is COCC(NC1CCCC(C(C)(C)C)CC1)C(C)C.
What is the InChIKey of 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
The InChIKey is LVMNWCYTFDTQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-13(2)16(12-19-6)18-15-9-7-8-14(10-11-15)17(3,4)5/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65089987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).