N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide

C15H35N5O — CID 156719788

IUPACN-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide
SMILESCCNCCCCNCCN1CCN(C)CC1.CNC=O
InChIInChI=1S/C13H30N4.C2H5NO/c1-3-14-6-4-5-7-15-8-9-17-12-10-16(2)11-13-17;1-3-2-4/h14-15H,3-13H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyRACMNKNRZAOZMB-UHFFFAOYSA-N
MW301.48 g/mol
LogP-0.42
Rot. Bonds10

About N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide

N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide (PubChem CID 156719788) has the molecular formula C15H35N5O and a molecular weight of 301.48 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide
PubChem CID156719788
Molecular FormulaC15H35N5O
Molecular Weight301.48 g/mol
Exact Mass301.28
IUPAC NameN-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide
SMILESCCNCCCCNCCN1CCN(C)CC1.CNC=O
InChIInChI=1S/C13H30N4.C2H5NO/c1-3-14-6-4-5-7-15-8-9-17-12-10-16(2)11-13-17;1-3-2-4/h14-15H,3-13H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyRACMNKNRZAOZMB-UHFFFAOYSA-N
XLogP-0.42
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Formamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis-
CID 6712724
N-(2-(4-methylpiperazin-1-yl)ethyl)formamide
CID 18695595
N-(2-piperidin-1-ylethyl)formamide
CID 21957372
N-butyl-N-[2-(butylamino)ethyl]formamide
CID 12478837
N-[3-(1-methylpiperazin-1-ium-1-yl)propyl]formamide
CID 17797147
N-[3-(4-Methylpiperazin-1-YL)propyl]formamide
CID 18183534
N-[2-(4-propylpiperazin-1-yl)ethyl]formamide
CID 18695560
N-[2-(dibutylamino)ethyl]formamide
CID 18768039
N-(1-propylpiperidin-3-yl)formamide
CID 20081712
4-[2-(Butylamino)ethyl]piperazine-1-carbaldehyde
CID 20337106
Butyl-(2-formamidoethyl)-dimethylazanium
CID 20802451
N-butyl-N-[2-(methylamino)ethyl]formamide
CID 23084470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide?
The IUPAC name of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide (CID 156719788) is N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide.
What is the SMILES notation for N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide?
The canonical SMILES for N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide is CCNCCCCNCCN1CCN(C)CC1.CNC=O.
What is the InChIKey of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide?
The InChIKey is RACMNKNRZAOZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4.C2H5NO/c1-3-14-6-4-5-7-15-8-9-17-12-10-16(2)11-13-17;1-3-2-4/h14-15H,3-13H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide?
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide has a molecular weight of 301.48 g/mol, XLogP of -0.42, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide is sourced from PubChem (CID 156719788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).