N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine

C13H25ClN2 — CID 106438717

IUPACN-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CC(C)=CCl
InChIInChI=1S/C13H25ClN2/c1-3-7-15-10-13-6-4-5-8-16(13)11-12(2)9-14/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyJAYBZMWUMVMONZ-UHFFFAOYSA-N
MW244.81 g/mol
LogP2.98
Rot. Bonds6

About N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 106438717) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID106438717
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC NameN-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CC(C)=CCl
InChIInChI=1S/C13H25ClN2/c1-3-7-15-10-13-6-4-5-8-16(13)11-12(2)9-14/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyJAYBZMWUMVMONZ-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439942
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847154
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine (CID 106438717) is N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1CC(C)=CCl.
What is the InChIKey of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is JAYBZMWUMVMONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-3-7-15-10-13-6-4-5-8-16(13)11-12(2)9-14/h9,13,15H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 244.81 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106438717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).