N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C15H27NO2 — CID 79895145

IUPACN-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCC1(NC2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C15H27NO2/c1-14(5-2-3-6-14)16-13-4-9-18-15(12-13)7-10-17-11-8-15/h13,16H,2-12H2,1H3
InChIKeyCRBZGEINZCQXAR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds2

About N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79895145) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79895145
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCC1(NC2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C15H27NO2/c1-14(5-2-3-6-14)16-13-4-9-18-15(12-13)7-10-17-11-8-15/h13,16H,2-12H2,1H3
InChIKeyCRBZGEINZCQXAR-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
N-(1-methylcyclopentyl)oxan-4-amine
CID 61365399
N-(1-methylcyclopentyl)oxolan-3-amine
CID 63335043
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid
CID 81167826
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
CID 79899613
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-[(2-methylthiolan-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 80722664

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79895145) is N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine is CC1(NC2CCOC3(CCOCC3)C2)CCCC1.
What is the InChIKey of N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is CRBZGEINZCQXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(5-2-3-6-14)16-13-4-9-18-15(12-13)7-10-17-11-8-15/h13,16H,2-12H2,1H3.
What are the key properties of N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 253.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).