N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine

C12H30N4 — CID 57031321

IUPACN-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine
SMILESCCCCNC(CCCN(CC)CC)NN
InChIInChI=1S/C12H30N4/c1-4-7-10-14-12(15-13)9-8-11-16(5-2)6-3/h12,14-15H,4-11,13H2,1-3H3
InChIKeyCCTSMZQUKDUJPO-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.29
Rot. Bonds11

About N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine

N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine (PubChem CID 57031321) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine.

Molecular Properties

Compound NameN-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine
PubChem CID57031321
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC NameN-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine
SMILESCCCCNC(CCCN(CC)CC)NN
InChIInChI=1S/C12H30N4/c1-4-7-10-14-12(15-13)9-8-11-16(5-2)6-3/h12,14-15H,4-11,13H2,1-3H3
InChIKeyCCTSMZQUKDUJPO-UHFFFAOYSA-N
XLogP1.29
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Butylamino-3-propylamino-3-propylamine
CID 54118560
5-Fluoro-6-propyl-1,2,6,8-tetrazacyclododecane
CID 174944082
2-[Amino(1-hydrazinylpropyl)amino]ethanamine
CID 57162875
8-Propyl-1,2,7,9-tetrazacyclotridecane-3,6-diamine;dihydrochloride
CID 66995276
1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine
CID 87650281
1-(2,2-dimethylhydrazinyl)-N-propylpropan-1-amine
CID 87963963
1-N',1-N'-diethyl-1-N-methylpropane-1,1-diamine;1-methyl-2-propylhydrazine
CID 88031006
1-[2-(dimethylamino)-2-propylhydrazinyl]-N-propylpropan-1-amine
CID 88287911
N-[1-[methylamino(propyl)amino]propyl]butan-1-amine
CID 88694951
1-[ethyl(methylamino)amino]-N-methylpropan-1-amine
CID 90437488
1-hydrazinyl-N-methylbutan-1-amine
CID 116961687
N-(hydrazinylmethyl)butan-1-amine
CID 117574672

Frequently Asked Questions

What is the IUPAC name of N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine?
The IUPAC name of N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine (CID 57031321) is N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine.
What is the SMILES notation for N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine?
The canonical SMILES for N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine is CCCCNC(CCCN(CC)CC)NN.
What is the InChIKey of N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine?
The InChIKey is CCTSMZQUKDUJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-4-7-10-14-12(15-13)9-8-11-16(5-2)6-3/h12,14-15H,4-11,13H2,1-3H3.
What are the key properties of N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine?
N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.29, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine is sourced from PubChem (CID 57031321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).