4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine

C14H31N3 — CID 115205476

IUPAC4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
SMILESCN1CCCC(CCNCCCC(C)(C)N)C1
InChIInChI=1S/C14H31N3/c1-14(2,15)8-5-9-16-10-7-13-6-4-11-17(3)12-13/h13,16H,4-12,15H2,1-3H3
InChIKeyIDUJUHGOFRFXSN-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.83
Rot. Bonds7

About 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine

4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine (PubChem CID 115205476) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
PubChem CID115205476
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
SMILESCN1CCCC(CCNCCCC(C)(C)N)C1
InChIInChI=1S/C14H31N3/c1-14(2,15)8-5-9-16-10-7-13-6-4-11-17(3)12-13/h13,16H,4-12,15H2,1-3H3
InChIKeyIDUJUHGOFRFXSN-UHFFFAOYSA-N
XLogP1.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.83
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-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
2-amino-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115152765
3,3-dimethyl-4-[2-(1-methylpiperidin-3-yl)ethylamino]butanoic acid
CID 115220443
1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115136320
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115132980
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
3-methyl-2-[[2-(1-methylpiperidin-3-yl)ethylamino]methyl]butanenitrile
CID 115254668
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine?
The IUPAC name of 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine (CID 115205476) is 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine is CN1CCCC(CCNCCCC(C)(C)N)C1.
What is the InChIKey of 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine?
The InChIKey is IDUJUHGOFRFXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2,15)8-5-9-16-10-7-13-6-4-11-17(3)12-13/h13,16H,4-12,15H2,1-3H3.
What are the key properties of 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine?
4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 115205476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).