5-tert-butyl-4-methylcyclooctan-1-amine

C13H27N — CID 175635893

IUPAC5-tert-butyl-4-methylcyclooctan-1-amine
SMILESCC1CCC(N)CCCC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-10-8-9-11(14)6-5-7-12(10)13(2,3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyOGVGNRHWBNSRRA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds

About 5-tert-butyl-4-methylcyclooctan-1-amine

5-tert-butyl-4-methylcyclooctan-1-amine (PubChem CID 175635893) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-tert-butyl-4-methylcyclooctan-1-amine.

Molecular Properties

Compound Name5-tert-butyl-4-methylcyclooctan-1-amine
PubChem CID175635893
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-tert-butyl-4-methylcyclooctan-1-amine
SMILESCC1CCC(N)CCCC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-10-8-9-11(14)6-5-7-12(10)13(2,3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyOGVGNRHWBNSRRA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-5-methylcyclononan-1-amine
CID 175635509
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine
CID 125452009
(1S,2S,6R)-2-tert-butyl-6-fluorocyclohexan-1-amine
CID 125452002
2-tert-butylcyclohexan-1-amine;methane
CID 158774532
5-methylcyclododecan-1-amine
CID 138488786
(2-tert-butylcyclopentyl)methanamine
CID 81010669
(5-aminocyclooctyl)azanium
CID 153193766
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
CID 175698442
CID 175698442
azane;cyclopentanamine
CID 69254255

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methylcyclooctan-1-amine?
The IUPAC name of 5-tert-butyl-4-methylcyclooctan-1-amine (CID 175635893) is 5-tert-butyl-4-methylcyclooctan-1-amine.
What is the SMILES notation for 5-tert-butyl-4-methylcyclooctan-1-amine?
The canonical SMILES for 5-tert-butyl-4-methylcyclooctan-1-amine is CC1CCC(N)CCCC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methylcyclooctan-1-amine?
The InChIKey is OGVGNRHWBNSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10-8-9-11(14)6-5-7-12(10)13(2,3)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 5-tert-butyl-4-methylcyclooctan-1-amine?
5-tert-butyl-4-methylcyclooctan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methylcyclooctan-1-amine is sourced from PubChem (CID 175635893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).