(1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine

C11H28N4 — CID 174247891

IUPAC(1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine
SMILESCCC[C@@H](NC)NC(C)NN(CC)CC
InChIInChI=1S/C11H28N4/c1-6-9-11(12-5)13-10(4)14-15(7-2)8-3/h10-14H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyCVGODKYXGIOTFC-DTIOYNMSSA-N
MW216.37 g/mol
LogP1.11
Rot. Bonds9

About (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine

(1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine (PubChem CID 174247891) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine.

Molecular Properties

Compound Name(1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine
PubChem CID174247891
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name(1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine
SMILESCCC[C@@H](NC)NC(C)NN(CC)CC
InChIInChI=1S/C11H28N4/c1-6-9-11(12-5)13-10(4)14-15(7-2)8-3/h10-14H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyCVGODKYXGIOTFC-DTIOYNMSSA-N
XLogP1.11
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
CID 57293793
1-N-methyl-1-N'-propan-2-ylpentane-1,1-diamine
CID 154626310
3-ethyl-2-methanidylhexane
CID 90757156
2-[ethyl-(pentan-2-ylamino)amino]ethanol
CID 175132425
1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
CID 154626445
N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
CID 154626201
1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
CID 154626252
(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine
CID 174146484
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
2-(2,2-diethylhydrazinyl)propanoic acid
CID 175089566

Frequently Asked Questions

What is the IUPAC name of (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine?
The IUPAC name of (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine (CID 174247891) is (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine.
What is the SMILES notation for (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine?
The canonical SMILES for (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine is CCC[C@@H](NC)NC(C)NN(CC)CC.
What is the InChIKey of (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine?
The InChIKey is CVGODKYXGIOTFC-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H28N4/c1-6-9-11(12-5)13-10(4)14-15(7-2)8-3/h10-14H,6-9H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine?
(1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine is sourced from PubChem (CID 174247891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).