1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine

C13H33N5 — CID 141048663

IUPAC1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine
SMILESCCCNN(NC(C)C)C(C)(C)C(NC)NCC
InChIInChI=1S/C13H33N5/c1-8-10-16-18(17-11(3)4)13(5,6)12(14-7)15-9-2/h11-12,14-17H,8-10H2,1-7H3
InChIKeyUMMGPKOYCBSNOT-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.05
Rot. Bonds10

About 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine

1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine (PubChem CID 141048663) has the molecular formula C13H33N5 and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine
PubChem CID141048663
Molecular FormulaC13H33N5
Molecular Weight259.44 g/mol
Exact Mass259.27
IUPAC Name1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine
SMILESCCCNN(NC(C)C)C(C)(C)C(NC)NCC
InChIInChI=1S/C13H33N5/c1-8-10-16-18(17-11(3)4)13(5,6)12(14-7)15-9-2/h11-12,14-17H,8-10H2,1-7H3
InChIKeyUMMGPKOYCBSNOT-UHFFFAOYSA-N
XLogP1.05
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine with MolForge

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Related Compounds

2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine
CID 173121214
1-N-ethyl-2,2-dimethyl-1-N'-propylpropane-1,1-diamine
CID 154626474
1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
CID 154626432
ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387
2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
CID 79445200
1-N',1-N'-dimethyl-1-N-propylpropane-1,1-diamine
CID 87287552
N'-iodo-N-methyl-N'-propylethane-1,2-diamine
CID 126702167
1-ethyl-1-propan-2-yl-2-propylhydrazine
CID 54518822
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
CID 114274826
1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine
CID 118103019
ethane;N-ethylpropan-2-amine;pentane
CID 155579970

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine?
The IUPAC name of 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine (CID 141048663) is 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine.
What is the SMILES notation for 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine?
The canonical SMILES for 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine is CCCNN(NC(C)C)C(C)(C)C(NC)NCC.
What is the InChIKey of 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine?
The InChIKey is UMMGPKOYCBSNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N5/c1-8-10-16-18(17-11(3)4)13(5,6)12(14-7)15-9-2/h11-12,14-17H,8-10H2,1-7H3.
What are the key properties of 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine?
1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine has a molecular weight of 259.44 g/mol, XLogP of 1.05, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine is sourced from PubChem (CID 141048663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).