1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine

C10H26N4 — CID 140976966

IUPAC1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine
SMILESCCNN(NC(C)C)C(NC)C(C)C
InChIInChI=1S/C10H26N4/c1-7-12-14(13-9(4)5)10(11-6)8(2)3/h8-13H,7H2,1-6H3
InChIKeyNEXBYAJPISQDAH-UHFFFAOYSA-N
MW202.35 g/mol
LogP0.93
Rot. Bonds7

About 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine

1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine (PubChem CID 140976966) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine
PubChem CID140976966
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine
SMILESCCNN(NC(C)C)C(NC)C(C)C
InChIInChI=1S/C10H26N4/c1-7-12-14(13-9(4)5)10(11-6)8(2)3/h8-13H,7H2,1-6H3
InChIKeyNEXBYAJPISQDAH-UHFFFAOYSA-N
XLogP0.93
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 50.93
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

1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine
CID 141048663
1,1-dibutyl-2-propan-2-ylhydrazine
CID 21407863
2-ethyl-1-(2-methylpentan-3-yl)-1-propan-2-ylhydrazine
CID 126542802
1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine
CID 126728251
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
1-butyl-2-ethyl-1-(2-methylpropyl)hydrazine
CID 174421930
2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine
CID 173121214
1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine
CID 175151430
1-N,1-N-dicyclohexyl-2-N-ethylpropane-1,2-diamine
CID 55134210
N-[2-[ethylamino(methyl)amino]ethyl]-N,2-dimethylpropanamide
CID 170712401
cyclobutane;2,3-dimethylpentane
CID 145154125
N-deuterio-N-ethylpropan-2-amine
CID 162178657

Frequently Asked Questions

What is the IUPAC name of 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine?
The IUPAC name of 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine (CID 140976966) is 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine.
What is the SMILES notation for 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine?
The canonical SMILES for 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine is CCNN(NC(C)C)C(NC)C(C)C.
What is the InChIKey of 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine?
The InChIKey is NEXBYAJPISQDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-7-12-14(13-9(4)5)10(11-6)8(2)3/h8-13H,7H2,1-6H3.
What are the key properties of 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine?
1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine has a molecular weight of 202.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine is sourced from PubChem (CID 140976966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).