N-(3,3-dimethylbutan-2-yl)cyclooctanamine

C14H29N — CID 104827916

IUPACN-(3,3-dimethylbutan-2-yl)cyclooctanamine
SMILESCC(NC1CCCCCCC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-12(14(2,3)4)15-13-10-8-6-5-7-9-11-13/h12-13,15H,5-11H2,1-4H3
InChIKeyQPZYSXBNBCENAM-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.12
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)cyclooctanamine

N-(3,3-dimethylbutan-2-yl)cyclooctanamine (PubChem CID 104827916) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)cyclooctanamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)cyclooctanamine
PubChem CID104827916
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(3,3-dimethylbutan-2-yl)cyclooctanamine
SMILESCC(NC1CCCCCCC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-12(14(2,3)4)15-13-10-8-6-5-7-9-11-13/h12-13,15H,5-11H2,1-4H3
InChIKeyQPZYSXBNBCENAM-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-propan-2-ylcycloheptanamine
CID 42562651
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine
CID 87082374
N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine
CID 104530181
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
1-N,1-N',2-N-tricyclohexyl-1-N"-silylpropane-1,1,1,2-tetramine
CID 173002311
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)cyclooctanamine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)cyclooctanamine (CID 104827916) is N-(3,3-dimethylbutan-2-yl)cyclooctanamine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)cyclooctanamine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)cyclooctanamine is CC(NC1CCCCCCC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)cyclooctanamine?
The InChIKey is QPZYSXBNBCENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12(14(2,3)4)15-13-10-8-6-5-7-9-11-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)cyclooctanamine?
N-(3,3-dimethylbutan-2-yl)cyclooctanamine has a molecular weight of 211.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)cyclooctanamine is sourced from PubChem (CID 104827916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).