N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine

C17H31NO — CID 81018268

IUPACN-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-13(2)18-12-15-5-6-16(15)14-7-10-19-17(11-14)8-3-4-9-17/h13-16,18H,3-12H2,1-2H3
InChIKeyRZCCGZZFPDKACY-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds4

About N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81018268) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID81018268
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-13(2)18-12-15-5-6-16(15)14-7-10-19-17(11-14)8-3-4-9-17/h13-16,18H,3-12H2,1-2H3
InChIKeyRZCCGZZFPDKACY-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]propan-2-amine
CID 81034352
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
CID 81033490
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
N-[[2-(oxan-3-yl)cyclopentyl]methyl]propan-2-amine
CID 107138114
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine (CID 81018268) is N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is RZCCGZZFPDKACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(2)18-12-15-5-6-16(15)14-7-10-19-17(11-14)8-3-4-9-17/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81018268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).