N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine

C14H34N4 — CID 54452976

IUPACN,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)CNCCNCCNCCNCC(C)C
InChIInChI=1S/C14H34N4/c1-13(2)11-17-9-7-15-5-6-16-8-10-18-12-14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyWWFNCLWDMUUEJD-UHFFFAOYSA-N
MW258.45 g/mol
LogP0.66
Rot. Bonds13

About N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine

N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine (PubChem CID 54452976) has the molecular formula C14H34N4 and a molecular weight of 258.45 g/mol. Its IUPAC name is N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
PubChem CID54452976
Molecular FormulaC14H34N4
Molecular Weight258.45 g/mol
Exact Mass258.28
IUPAC NameN,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)CNCCNCCNCCNCC(C)C
InChIInChI=1S/C14H34N4/c1-13(2)11-17-9-7-15-5-6-16-8-10-18-12-14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyWWFNCLWDMUUEJD-UHFFFAOYSA-N
XLogP0.66
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 175939227
CID 175939227
2-methyl-N-propylpropan-1-amine
CID 520943
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
2-(2-methylpropylamino)ethylcarbamic acid
CID 90802590
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine (CID 54452976) is N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine is CC(C)CNCCNCCNCCNCC(C)C.
What is the InChIKey of N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
The InChIKey is WWFNCLWDMUUEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4/c1-13(2)11-17-9-7-15-5-6-16-8-10-18-12-14(3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 0.66, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 54452976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).