N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine

C14H31N3 — CID 55099792

IUPACN',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCC1CCCN(C)C1
InChIInChI=1S/C14H31N3/c1-4-17(5-2)11-7-9-15-12-14-8-6-10-16(3)13-14/h14-15H,4-13H2,1-3H3
InChIKeyVPVMUEFSBHISNS-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds8

About N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine (PubChem CID 55099792) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
PubChem CID55099792
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCC1CCCN(C)C1
InChIInChI=1S/C14H31N3/c1-4-17(5-2)11-7-9-15-12-14-8-6-10-16(3)13-14/h14-15H,4-13H2,1-3H3
InChIKeyVPVMUEFSBHISNS-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 62655954
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
CID 62658117
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine (CID 55099792) is N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine is CCN(CC)CCCNCC1CCCN(C)C1.
What is the InChIKey of N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine?
The InChIKey is VPVMUEFSBHISNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-17(5-2)11-7-9-15-12-14-8-6-10-16(3)13-14/h14-15H,4-13H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 55099792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).