N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine

C8H21N3 — CID 118974696

IUPACN-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine
SMILESCCNCN(CC)NC(C)C
InChIInChI=1S/C8H21N3/c1-5-9-7-11(6-2)10-8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyJDOJTZSRHBRBIJ-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.79
Rot. Bonds6

About N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine

N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine (PubChem CID 118974696) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine.

Molecular Properties

Compound NameN-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine
PubChem CID118974696
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine
SMILESCCNCN(CC)NC(C)C
InChIInChI=1S/C8H21N3/c1-5-9-7-11(6-2)10-8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyJDOJTZSRHBRBIJ-UHFFFAOYSA-N
XLogP0.79
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,1-N',2-N-trimethyl-1-[methylamino(propyl)amino]propane-1,1,2-triamine
CID 53976648
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-[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
N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine
CID 90860880
N-(hydrazinylmethyl)propan-2-amine
CID 117574669
3-N-[[amino(ethyl)amino]methyl]-1-N-propylbutane-1,3-diamine
CID 118974687
N-[[amino(propan-2-yl)amino]methyl]ethanamine
CID 118974693
3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 118974788
N-[[ethyl(methylamino)amino]methyl]ethanamine
CID 118974803

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine?
The IUPAC name of N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine (CID 118974696) is N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine.
What is the SMILES notation for N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine?
The canonical SMILES for N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine is CCNCN(CC)NC(C)C.
What is the InChIKey of N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine?
The InChIKey is JDOJTZSRHBRBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-5-9-7-11(6-2)10-8(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine?
N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine has a molecular weight of 159.28 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine is sourced from PubChem (CID 118974696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).