N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine

C14H31N3 — CID 55074418

IUPACN,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
SMILESCCCNCC(C)CN1CCC(N(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-8-15-11-13(2)12-17-9-6-14(7-10-17)16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyCTHGLTVICZJZEM-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine

N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine (PubChem CID 55074418) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
PubChem CID55074418
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
SMILESCCCNCC(C)CN1CCC(N(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-8-15-11-13(2)12-17-9-6-14(7-10-17)16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyCTHGLTVICZJZEM-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
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

1-[3-(ethylamino)-2-methylpropyl]-N,N-dimethylpiperidin-4-amine
CID 62433719
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
CID 55069148
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
CID 104960024
N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
CID 55069274
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62430346
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine (CID 55074418) is N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine is CCCNCC(C)CN1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine?
The InChIKey is CTHGLTVICZJZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-8-15-11-13(2)12-17-9-6-14(7-10-17)16(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine?
N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine is sourced from PubChem (CID 55074418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).