4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine

C17H35N — CID 65089746

IUPAC4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
SMILESCC(C)C(C)CNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-13(2)14(3)12-18-16-9-7-8-15(10-11-16)17(4,5)6/h13-16,18H,7-12H2,1-6H3
InChIKeyXMZHNIYEOFOGOT-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds4

About 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine

4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine (PubChem CID 65089746) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
PubChem CID65089746
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
SMILESCC(C)C(C)CNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-13(2)14(3)12-18-16-9-7-8-15(10-11-16)17(4,5)6/h13-16,18H,7-12H2,1-6H3
InChIKeyXMZHNIYEOFOGOT-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine
CID 64570673
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
4-tert-butyl-N-pent-3-ynylcycloheptan-1-amine
CID 116643207
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine
CID 115763856
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900
4-tert-butyl-N-ethoxycycloheptan-1-amine
CID 82706330
4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65089987
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
1,4-ditert-butylcycloheptane
CID 58579546

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine (CID 65089746) is 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine is CC(C)C(C)CNC1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine?
The InChIKey is XMZHNIYEOFOGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-13(2)14(3)12-18-16-9-7-8-15(10-11-16)17(4,5)6/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine?
4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine is sourced from PubChem (CID 65089746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).