N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine

C17H31NO — CID 107418106

IUPACN-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1CCCC1CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NO/c1-14-6-5-7-15(14)13-18-16-8-11-19-17(12-16)9-3-2-4-10-17/h14-16,18H,2-13H2,1H3
InChIKeyQZVXSQFBIGWHED-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds3

About N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine

N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 107418106) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID107418106
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1CCCC1CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NO/c1-14-6-5-7-15(14)13-18-16-8-11-19-17(12-16)9-3-2-4-10-17/h14-16,18H,2-13H2,1H3
InChIKeyQZVXSQFBIGWHED-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]oxan-4-amine
CID 107417295
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79897645
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine (CID 107418106) is N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine is CC1CCCC1CNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is QZVXSQFBIGWHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14-6-5-7-15(14)13-18-16-8-11-19-17(12-16)9-3-2-4-10-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 265.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 107418106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).