1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine

C8H20N2 — CID 154626189

IUPAC1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
SMILESCCNC(C)NC(C)CC
InChIInChI=1S/C8H20N2/c1-5-7(3)10-8(4)9-6-2/h7-10H,5-6H2,1-4H3
InChIKeyHXAPPEXOGJLHIL-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.33
Rot. Bonds5

About 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine

1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine (PubChem CID 154626189) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
PubChem CID154626189
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
SMILESCCNC(C)NC(C)CC
InChIInChI=1S/C8H20N2/c1-5-7(3)10-8(4)9-6-2/h7-10H,5-6H2,1-4H3
InChIKeyHXAPPEXOGJLHIL-UHFFFAOYSA-N
XLogP1.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
CID 154626445
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687
N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
5-(ethylamino)hexan-3-ol
CID 140740980
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
N-butan-2-ylbutan-2-amine;sulfuric acid
CID 138397269
1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
CID 154626442
ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387
N-butan-2-ylheptan-4-amine
CID 43190303
(3S)-3-(butan-2-ylamino)butan-1-ol
CID 131065371
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
CID 170980277
2-N-butan-2-ylbutane-1,2-diamine
CID 65383275

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine?
The IUPAC name of 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine (CID 154626189) is 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine?
The canonical SMILES for 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine is CCNC(C)NC(C)CC.
What is the InChIKey of 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine?
The InChIKey is HXAPPEXOGJLHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-5-7(3)10-8(4)9-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine?
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine is sourced from PubChem (CID 154626189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).