N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C17H32N2O2 — CID 83112995

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN(C)C1(CNC2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C17H32N2O2/c1-19(2)16(6-3-4-7-16)14-18-15-5-10-21-17(13-15)8-11-20-12-9-17/h15,18H,3-14H2,1-2H3
InChIKeyLADSFHMLTUSRHQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.18
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 83112995) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID83112995
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN(C)C1(CNC2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C17H32N2O2/c1-19(2)16(6-3-4-7-16)14-18-15-5-10-21-17(13-15)8-11-20-12-9-17/h15,18H,3-14H2,1-2H3
InChIKeyLADSFHMLTUSRHQ-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
N-[(2-methylthiolan-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 80722664
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901356
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
CID 55202503
N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 107163672

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 83112995) is N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is CN(C)C1(CNC2CCOC3(CCOCC3)C2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is LADSFHMLTUSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-19(2)16(6-3-4-7-16)14-18-15-5-10-21-17(13-15)8-11-20-12-9-17/h15,18H,3-14H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 296.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 83112995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).