1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine

C13H30N2 — CID 87928150

IUPAC1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine
SMILESCCCCCCC(C)C(NCC)N(C)C
InChIInChI=1S/C13H30N2/c1-6-8-9-10-11-12(3)13(14-7-2)15(4)5/h12-14H,6-11H2,1-5H3
InChIKeySVSQXLLMOIYGKF-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.09
Rot. Bonds9

About 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine

1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine (PubChem CID 87928150) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine
PubChem CID87928150
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine
SMILESCCCCCCC(C)C(NCC)N(C)C
InChIInChI=1S/C13H30N2/c1-6-8-9-10-11-12(3)13(14-7-2)15(4)5/h12-14H,6-11H2,1-5H3
InChIKeySVSQXLLMOIYGKF-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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11,12-dimethyloctacosane
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N-ethyl-2-methyl-1-phenylundecan-1-amine
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N-ethyltetradecan-7-amine
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1-N,1-N'-diethyldecane-1,1-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine?
The IUPAC name of 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine (CID 87928150) is 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine?
The canonical SMILES for 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine is CCCCCCC(C)C(NCC)N(C)C.
What is the InChIKey of 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine?
The InChIKey is SVSQXLLMOIYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-8-9-10-11-12(3)13(14-7-2)15(4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine?
1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N',1-N',2-trimethyloctane-1,1-diamine is sourced from PubChem (CID 87928150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).