4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine

C14H31N3 — CID 62431308

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
SMILESCNCCCC(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(6-5-9-15-2)17-10-7-14(8-11-17)12-16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyUXCXNXAYDRNGBV-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine (PubChem CID 62431308) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
PubChem CID62431308
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
SMILESCNCCCC(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(6-5-9-15-2)17-10-7-14(8-11-17)12-16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyUXCXNXAYDRNGBV-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

N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
CID 62432463
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 62431627
4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 62427995
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 54874514
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
N-methyl-3-(4-methylpiperidin-1-yl)butan-1-amine
CID 62438267
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
CID 62413264
4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 102968095
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine
CID 79409791

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine (CID 62431308) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine is CNCCCC(C)N1CCC(CN(C)C)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine?
The InChIKey is UXCXNXAYDRNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(6-5-9-15-2)17-10-7-14(8-11-17)12-16(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-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 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine is sourced from PubChem (CID 62431308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).