1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine

C15H33N3 — CID 115204173

IUPAC1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine
SMILESCC(N)CCCNCC(C)(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-13(16)6-5-9-17-12-15(2,3)14-7-10-18(4)11-8-14/h13-14,17H,5-12,16H2,1-4H3
InChIKeyWLQOKKRVEDCZMH-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.07
Rot. Bonds7

About 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine

1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine (PubChem CID 115204173) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine
PubChem CID115204173
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine
SMILESCC(N)CCCNCC(C)(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-13(16)6-5-9-17-12-15(2,3)14-7-10-18(4)11-8-14/h13-14,17H,5-12,16H2,1-4H3
InChIKeyWLQOKKRVEDCZMH-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
CID 115200323
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile
CID 115234404
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
CID 115223620
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115162294
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285
3-fluoro-3-(1-methylpiperidin-4-yl)butan-2-amine
CID 105443311
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
CID 114515594

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine?
The IUPAC name of 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine (CID 115204173) is 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine is CC(N)CCCNCC(C)(C)C1CCN(C)CC1.
What is the InChIKey of 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine?
The InChIKey is WLQOKKRVEDCZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(16)6-5-9-17-12-15(2,3)14-7-10-18(4)11-8-14/h13-14,17H,5-12,16H2,1-4H3.
What are the key properties of 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine?
1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine is sourced from PubChem (CID 115204173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).