ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine

C20H54N4 — CID 165403738

IUPACethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESC.CC.CC.CC.CC.CNCCCN1CCN(CCCN)CC1
InChIInChI=1S/C11H26N4.4C2H6.CH4/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12;4*1-2;/h13H,2-12H2,1H3;4*1-2H3;1H4
InChIKeyYTTSUEFQXBXKOQ-UHFFFAOYSA-N
MW350.68 g/mol
LogP4.30
Rot. Bonds7

About ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine

ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine (PubChem CID 165403738) has the molecular formula C20H54N4 and a molecular weight of 350.68 g/mol. Its IUPAC name is ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Nameethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
PubChem CID165403738
Molecular FormulaC20H54N4
Molecular Weight350.68 g/mol
Exact Mass350.43
IUPAC Nameethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESC.CC.CC.CC.CC.CNCCCN1CCN(CCCN)CC1
InChIInChI=1S/C11H26N4.4C2H6.CH4/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12;4*1-2;/h13H,2-12H2,1H3;4*1-2H3;1H4
InChIKeyYTTSUEFQXBXKOQ-UHFFFAOYSA-N
XLogP4.30
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 54.30
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-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine (CID 165403738) is ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine is C.CC.CC.CC.CC.CNCCCN1CCN(CCCN)CC1.
What is the InChIKey of ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is YTTSUEFQXBXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4.4C2H6.CH4/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12;4*1-2;/h13H,2-12H2,1H3;4*1-2H3;1H4.
What are the key properties of ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 350.68 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 165403738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).