N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine

C16H32N2O — CID 116522148

IUPACN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C16H32N2O/c1-4-10-17-12-14-7-5-6-11-18(14)13-15-8-9-16(2,3)19-15/h14-15,17H,4-13H2,1-3H3
InChIKeyCJCXTKSKUWXPEW-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds6

About N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine (PubChem CID 116522148) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
PubChem CID116522148
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C16H32N2O/c1-4-10-17-12-14-7-5-6-11-18(14)13-15-8-9-16(2,3)19-15/h14-15,17H,4-13H2,1-3H3
InChIKeyCJCXTKSKUWXPEW-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 116522147
N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 116522178
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62439517
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
CID 106438717

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine (CID 116522148) is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1CC1CCC(C)(C)O1.
What is the InChIKey of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is CJCXTKSKUWXPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-10-17-12-14-7-5-6-11-18(14)13-15-8-9-16(2,3)19-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 116522148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).