1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine

C12H28N2 — CID 87994889

IUPAC1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine
SMILESCCCC(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H28N2/c1-6-11-12(13(7-2)8-3)14(9-4)10-5/h12H,6-11H2,1-5H3
InChIKeyHZYCARWKXFMYAY-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.80
Rot. Bonds8

About 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine

1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine (PubChem CID 87994889) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine
PubChem CID87994889
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine
SMILESCCCC(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H28N2/c1-6-11-12(13(7-2)8-3)14(9-4)10-5/h12H,6-11H2,1-5H3
InChIKeyHZYCARWKXFMYAY-UHFFFAOYSA-N
XLogP2.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
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

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CID 123426756
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CID 165399602
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
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N,N-diethyl-3,4-dimethylheptan-2-amine
CID 90920485
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
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CID 171934058
N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
N-butan-2-yl-N-ethyl-2-propylpentan-1-amine
CID 177354730
N,N-diethyltridecan-4-amine
CID 159822270
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
N,N'-diethyl-N'-pentan-2-ylmethanediamine
CID 156888223
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CID 152588936

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine (CID 87994889) is 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine is CCCC(N(CC)CC)N(CC)CC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine?
The InChIKey is HZYCARWKXFMYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-11-12(13(7-2)8-3)14(9-4)10-5/h12H,6-11H2,1-5H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine?
1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine is sourced from PubChem (CID 87994889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).