N-pentan-2-ylcyclooctanamine

C13H27N — CID 43079432

IUPACN-pentan-2-ylcyclooctanamine
SMILESCCCC(C)NC1CCCCCCC1
InChIInChI=1S/C13H27N/c1-3-9-12(2)14-13-10-7-5-4-6-8-11-13/h12-14H,3-11H2,1-2H3
InChIKeyWEEIAXSBDKZASW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.88
Rot. Bonds4

About N-pentan-2-ylcyclooctanamine

N-pentan-2-ylcyclooctanamine (PubChem CID 43079432) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-pentan-2-ylcyclooctanamine.

Molecular Properties

Compound NameN-pentan-2-ylcyclooctanamine
PubChem CID43079432
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-pentan-2-ylcyclooctanamine
SMILESCCCC(C)NC1CCCCCCC1
InChIInChI=1S/C13H27N/c1-3-9-12(2)14-13-10-7-5-4-6-8-11-13/h12-14H,3-11H2,1-2H3
InChIKeyWEEIAXSBDKZASW-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43082272
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N-octan-2-ylcyclohexanamine
CID 13244945
N-pentan-2-ylthian-4-amine
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N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-pentan-2-ylspiro[4.5]decan-8-amine
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N-(4-chlorobutan-2-yl)cyclopentanamine
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(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
2-(cyclododecylamino)propan-1-ol
CID 43499740
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylcyclooctanamine?
The IUPAC name of N-pentan-2-ylcyclooctanamine (CID 43079432) is N-pentan-2-ylcyclooctanamine.
What is the SMILES notation for N-pentan-2-ylcyclooctanamine?
The canonical SMILES for N-pentan-2-ylcyclooctanamine is CCCC(C)NC1CCCCCCC1.
What is the InChIKey of N-pentan-2-ylcyclooctanamine?
The InChIKey is WEEIAXSBDKZASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-9-12(2)14-13-10-7-5-4-6-8-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-pentan-2-ylcyclooctanamine?
N-pentan-2-ylcyclooctanamine has a molecular weight of 197.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylcyclooctanamine is sourced from PubChem (CID 43079432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).