N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine

C17H32N2O — CID 106632077

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)N(CC1CCCCN1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H32N2O/c1-14(2)19(13-15-6-3-4-10-18-15)16-7-11-20-17(12-16)8-5-9-17/h14-16,18H,3-13H2,1-2H3
InChIKeyTYRAKYQBNSZQDG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine

N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 106632077) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
PubChem CID106632077
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)N(CC1CCCCN1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H32N2O/c1-14(2)19(13-15-6-3-4-10-18-15)16-7-11-20-17(12-16)8-5-9-17/h14-16,18H,3-13H2,1-2H3
InChIKeyTYRAKYQBNSZQDG-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxan-4-amine
CID 106622299
N-(piperidin-2-ylmethyl)-N-propan-2-yloxetan-3-amine
CID 176601027
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
CID 106622294
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 106599659
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
3,3,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622016
8-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 106621974
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine (CID 106632077) is N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine is CC(C)N(CC1CCCCN1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is TYRAKYQBNSZQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(2)19(13-15-6-3-4-10-18-15)16-7-11-20-17(12-16)8-5-9-17/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 280.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 106632077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).