N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C16H31NO — CID 112682082

IUPACN-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOC1CCCC1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-15(2)9-12(10-16(3,4)11-15)17-13-7-6-8-14(13)18-5/h12-14,17H,6-11H2,1-5H3
InChIKeyRLEZNFXXMHDGCM-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds3

About N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 112682082) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID112682082
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOC1CCCC1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-15(2)9-12(10-16(3,4)11-15)17-13-7-6-8-14(13)18-5/h12-14,17H,6-11H2,1-5H3
InChIKeyRLEZNFXXMHDGCM-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 112682082) is N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine is COC1CCCC1NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is RLEZNFXXMHDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2)9-12(10-16(3,4)11-15)17-13-7-6-8-14(13)18-5/h12-14,17H,6-11H2,1-5H3.
What are the key properties of N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 112682082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).