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

C17H29NO2 — CID 81027515

IUPACN-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
SMILESC1CC(CNC2CC2)C(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C17H29NO2/c1-2-14(11-18-15-4-5-15)16(3-1)13-6-8-20-17(10-13)7-9-19-12-17/h13-16,18H,1-12H2
InChIKeyAUHSPFVKJKVINJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.74
Rot. Bonds4

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

N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81027515) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81027515
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
SMILESC1CC(CNC2CC2)C(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C17H29NO2/c1-2-14(11-18-15-4-5-15)16(3-1)13-6-8-20-17(10-13)7-9-19-12-17/h13-16,18H,1-12H2
InChIKeyAUHSPFVKJKVINJ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
CID 81033490
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
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-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
N-[(2-cycloheptylcycloheptyl)methyl]cyclopropanamine
CID 82935728
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine (CID 81027515) is N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine is C1CC(CNC2CC2)C(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is AUHSPFVKJKVINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-14(11-18-15-4-5-15)16(3-1)13-6-8-20-17(10-13)7-9-19-12-17/h13-16,18H,1-12H2.
What are the key properties of N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 279.42 g/mol, XLogP of 2.74, 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]cyclopropanamine is sourced from PubChem (CID 81027515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).