N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C12H28N4 — CID 117027507

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCN(CCN)CC1
InChIInChI=1S/C12H28N4/c1-15(2)8-3-7-14-12-4-9-16(10-5-12)11-6-13/h12,14H,3-11,13H2,1-2H3
InChIKeyVHUVZGNLPRMNPR-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.05
Rot. Bonds7

About N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 117027507) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID117027507
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCN(CCN)CC1
InChIInChI=1S/C12H28N4/c1-15(2)8-3-7-14-12-4-9-16(10-5-12)11-6-13/h12,14H,3-11,13H2,1-2H3
InChIKeyVHUVZGNLPRMNPR-UHFFFAOYSA-N
XLogP-0.05
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
1-(2-aminoethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 117027502
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
N-(3-fluoropropyl)-1-propylpiperidin-4-amine
CID 81106690
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
CID 117004407
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
undecyl 6-[3-[3-(dimethylamino)propylamino]pyrrolidin-1-yl]hexanoate
CID 171562701
N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
CID 66986857
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
CID 115705235

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 117027507) is N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1CCN(CCN)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VHUVZGNLPRMNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-15(2)8-3-7-14-12-4-9-16(10-5-12)11-6-13/h12,14H,3-11,13H2,1-2H3.
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 117027507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).