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

C17H31NO — CID 79903273

IUPACN-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1(CNC2CCOC3(CCCCC3)C2)CCCC1
InChIInChI=1S/C17H31NO/c1-16(8-5-6-9-16)14-18-15-7-12-19-17(13-15)10-3-2-4-11-17/h15,18H,2-14H2,1H3
InChIKeyKKCQIJVQBJARIH-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds3

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

N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79903273) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79903273
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1(CNC2CCOC3(CCCCC3)C2)CCCC1
InChIInChI=1S/C17H31NO/c1-16(8-5-6-9-16)14-18-15-7-12-19-17(13-15)10-3-2-4-11-17/h15,18H,2-14H2,1H3
InChIKeyKKCQIJVQBJARIH-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 107163672
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107163812
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine (CID 79903273) is N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine is CC1(CNC2CCOC3(CCCCC3)C2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is KKCQIJVQBJARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(8-5-6-9-16)14-18-15-7-12-19-17(13-15)10-3-2-4-11-17/h15,18H,2-14H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).