N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine

C17H31NO2 — CID 81034352

IUPACN-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H31NO2/c1-13(2)18-11-15-4-3-5-16(15)14-6-8-20-17(10-14)7-9-19-12-17/h13-16,18H,3-12H2,1-2H3
InChIKeyWYOJZONGWVRWSN-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.99
Rot. Bonds4

About N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine

N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81034352) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
PubChem CID81034352
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H31NO2/c1-13(2)18-11-15-4-3-5-16(15)14-6-8-20-17(10-14)7-9-19-12-17/h13-16,18H,3-12H2,1-2H3
InChIKeyWYOJZONGWVRWSN-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
N-[[2-(oxan-3-yl)cyclopentyl]methyl]propan-2-amine
CID 107138114
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 79923916
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine (CID 81034352) is N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is WYOJZONGWVRWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)18-11-15-4-3-5-16(15)14-6-8-20-17(10-14)7-9-19-12-17/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81034352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).