N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine

C12H28N4 — CID 170901178

IUPACN'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESC/C(CC(C)C)=N\CCNCCNCCN
InChIInChI=1S/C12H28N4/c1-11(2)10-12(3)16-9-8-15-7-6-14-5-4-13/h11,14-15H,4-10,13H2,1-3H3/b16-12+
InChIKeySGCRWYMPOUZFTH-FOWTUZBSSA-N
MW228.38 g/mol
LogP0.63
Rot. Bonds10

About N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 170901178) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID170901178
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC NameN'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESC/C(CC(C)C)=N\CCNCCNCCN
InChIInChI=1S/C12H28N4/c1-11(2)10-12(3)16-9-8-15-7-6-14-5-4-13/h11,14-15H,4-10,13H2,1-3H3/b16-12+
InChIKeySGCRWYMPOUZFTH-FOWTUZBSSA-N
XLogP0.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(1,3-dimethylbutylidene)-2,2'-iminobis(ethylamine)
CID 114584
1-(1-methylpropylidene)-N2-(2-((1-methylpropylidene)amino)ethyl)-
CID 18520348
N1,N2-Bis[2-[(1,3-dimethylbutylidene)amino]ethyl]-1,2-ethanediamine
CID 18659999
1,2-Ethanediamine, N1-(2-aminoethyl)-N2-(1-methylpropylidene)-
CID 58308986
N1-(2-((4-methylpentan-2-ylidene)amino)ethyl)ethane-1,2-diamine
CID 59069657
5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene
CID 419582
N1-[2-[(1,3-Dimethylbutylidene)amino]ethyl]-N2-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]-1,2-ethanediamine
CID 86087
1,2-Ethanediamine, N1-(2-((1-methylethylidene)amino)ethyl)-N2-(2-((2-((1-methylethylidene)amino)ethyl)amino)ethyl)-
CID 92683
5,7,7-Trimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
CID 15618157
5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,14-diene
CID 4364542
4,6,6-Trimethyl-1,9-diamino-3,7-diazanon-3-en
CID 15489967
2,4-Dimethyl-1,5,8,11-tetraazacyclotrideca-1,4-diene
CID 71413761

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine (CID 170901178) is N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine is C/C(CC(C)C)=N\CCNCCNCCN.
What is the InChIKey of N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is SGCRWYMPOUZFTH-FOWTUZBSSA-N. The full InChI is InChI=1S/C12H28N4/c1-11(2)10-12(3)16-9-8-15-7-6-14-5-4-13/h11,14-15H,4-10,13H2,1-3H3/b16-12+.
What are the key properties of N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 0.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 170901178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).