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

C19H35NO — CID 81027844

IUPACN-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H35NO/c1-15(2)20-14-17-7-3-4-8-18(17)16-9-12-21-19(13-16)10-5-6-11-19/h15-18,20H,3-14H2,1-2H3
InChIKeyXELRTTACBXNZST-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.53
Rot. Bonds4

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

N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81027844) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID81027844
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC NameN-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H35NO/c1-15(2)20-14-17-7-3-4-8-18(17)16-9-12-21-19(13-16)10-5-6-11-19/h15-18,20H,3-14H2,1-2H3
InChIKeyXELRTTACBXNZST-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
N-[[2-(oxan-3-yl)cyclopentyl]methyl]propan-2-amine
CID 107138114
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine (CID 81027844) is N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCCCC1C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is XELRTTACBXNZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-15(2)20-14-17-7-3-4-8-18(17)16-9-12-21-19(13-16)10-5-6-11-19/h15-18,20H,3-14H2,1-2H3.
What are the key properties of N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 293.49 g/mol, XLogP of 4.53, 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)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81027844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).