4-tert-butyl-N-cyclopentylcycloheptan-1-amine

C16H31N — CID 65090444

IUPAC4-tert-butyl-N-cyclopentylcycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NC2CCCC2)CC1
InChIInChI=1S/C16H31N/c1-16(2,3)13-7-6-10-15(12-11-13)17-14-8-4-5-9-14/h13-15,17H,4-12H2,1-3H3
InChIKeyMZNWXOYSRZDUAM-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.51
Rot. Bonds2

About 4-tert-butyl-N-cyclopentylcycloheptan-1-amine

4-tert-butyl-N-cyclopentylcycloheptan-1-amine (PubChem CID 65090444) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclopentylcycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-cyclopentylcycloheptan-1-amine
PubChem CID65090444
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-tert-butyl-N-cyclopentylcycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NC2CCCC2)CC1
InChIInChI=1S/C16H31N/c1-16(2,3)13-7-6-10-15(12-11-13)17-14-8-4-5-9-14/h13-15,17H,4-12H2,1-3H3
InChIKeyMZNWXOYSRZDUAM-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-cyclopropylcyclohexan-1-amine
CID 16770515
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43434650
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629253
tert-butylcyclopentadecane
CID 164774831
4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 114544060
4-tert-butyl-N-ethoxycycloheptan-1-amine
CID 82706330
4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine
CID 79352272

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclopentylcycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-cyclopentylcycloheptan-1-amine (CID 65090444) is 4-tert-butyl-N-cyclopentylcycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-cyclopentylcycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-cyclopentylcycloheptan-1-amine is CC(C)(C)C1CCCC(NC2CCCC2)CC1.
What is the InChIKey of 4-tert-butyl-N-cyclopentylcycloheptan-1-amine?
The InChIKey is MZNWXOYSRZDUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-16(2,3)13-7-6-10-15(12-11-13)17-14-8-4-5-9-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-cyclopentylcycloheptan-1-amine?
4-tert-butyl-N-cyclopentylcycloheptan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cyclopentylcycloheptan-1-amine is sourced from PubChem (CID 65090444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).