CID 173126602

C12H30AlN2 — CID 173126602

IUPAC—
SMILESCC(C)[Al]C(C)C.CCN(C)CCNC
InChIInChI=1S/C6H16N2.2C3H7.Al/c1-4-8(3)6-5-7-2;2*1-3-2;/h7H,4-6H2,1-3H3;2*3H,1-2H3;
InChIKeyJCBYIJRRUFHNKR-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.50
Rot. Bonds6

About CID 173126602

CID 173126602 (PubChem CID 173126602) has the molecular formula C12H30AlN2 and a molecular weight of 229.37 g/mol.

Molecular Properties

Compound NameCID 173126602
PubChem CID173126602
Molecular FormulaC12H30AlN2
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name—
SMILESCC(C)[Al]C(C)C.CCN(C)CCNC
InChIInChI=1S/C6H16N2.2C3H7.Al/c1-4-8(3)6-5-7-2;2*1-3-2;/h7H,4-6H2,1-3H3;2*3H,1-2H3;
InChIKeyJCBYIJRRUFHNKR-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
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ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 123518581
N-ethyl-N,N',3,3-tetramethylpentane-1,5-diamine;molecular hydrogen
CID 170741691
1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine
CID 176568903
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346

Frequently Asked Questions

What is the IUPAC name of CID 173126602?
The IUPAC name of CID 173126602 (CID 173126602) is not available.
What is the SMILES notation for CID 173126602?
The canonical SMILES for CID 173126602 is CC(C)[Al]C(C)C.CCN(C)CCNC.
What is the InChIKey of CID 173126602?
The InChIKey is JCBYIJRRUFHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2C3H7.Al/c1-4-8(3)6-5-7-2;2*1-3-2;/h7H,4-6H2,1-3H3;2*3H,1-2H3;.
What are the key properties of CID 173126602?
CID 173126602 has a molecular weight of 229.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173126602 is sourced from PubChem (CID 173126602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).