1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine

C14H29ClN2 — CID 106353823

IUPAC1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
SMILESCC(C)C(CCCl)NCCC1CCCCN1C
InChIInChI=1S/C14H29ClN2/c1-12(2)14(7-9-15)16-10-8-13-6-4-5-11-17(13)3/h12-14,16H,4-11H2,1-3H3
InChIKeyVZZBTIVKKGOGRM-UHFFFAOYSA-N
MW260.85 g/mol
LogP3.10
Rot. Bonds7

About 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine

1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine (PubChem CID 106353823) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
PubChem CID106353823
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC Name1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
SMILESCC(C)C(CCCl)NCCC1CCCCN1C
InChIInChI=1S/C14H29ClN2/c1-12(2)14(7-9-15)16-10-8-13-6-4-5-11-17(13)3/h12-14,16H,4-11H2,1-3H3
InChIKeyVZZBTIVKKGOGRM-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
CID 103914140
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pentan-2-amine
CID 75504470
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
CID 114283759
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62415302

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
The IUPAC name of 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine (CID 106353823) is 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
The canonical SMILES for 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine is CC(C)C(CCCl)NCCC1CCCCN1C.
What is the InChIKey of 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
The InChIKey is VZZBTIVKKGOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2/c1-12(2)14(7-9-15)16-10-8-13-6-4-5-11-17(13)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine has a molecular weight of 260.85 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 106353823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).