3,4,4-triethylheptan-3-amine

C13H29N — CID 23616495

IUPAC3,4,4-triethylheptan-3-amine
SMILESCCCC(CC)(CC)C(N)(CC)CC
InChIInChI=1S/C13H29N/c1-6-11-12(7-2,8-3)13(14,9-4)10-5/h6-11,14H2,1-5H3
InChIKeyKAHINQSXRYRRKD-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.11
Rot. Bonds7

About 3,4,4-triethylheptan-3-amine

3,4,4-triethylheptan-3-amine (PubChem CID 23616495) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,4,4-triethylheptan-3-amine.

Molecular Properties

Compound Name3,4,4-triethylheptan-3-amine
PubChem CID23616495
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,4,4-triethylheptan-3-amine
SMILESCCCC(CC)(CC)C(N)(CC)CC
InChIInChI=1S/C13H29N/c1-6-11-12(7-2,8-3)13(14,9-4)10-5/h6-11,14H2,1-5H3
InChIKeyKAHINQSXRYRRKD-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-triethylheptan-3-amine?
The IUPAC name of 3,4,4-triethylheptan-3-amine (CID 23616495) is 3,4,4-triethylheptan-3-amine.
What is the SMILES notation for 3,4,4-triethylheptan-3-amine?
The canonical SMILES for 3,4,4-triethylheptan-3-amine is CCCC(CC)(CC)C(N)(CC)CC.
What is the InChIKey of 3,4,4-triethylheptan-3-amine?
The InChIKey is KAHINQSXRYRRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-11-12(7-2,8-3)13(14,9-4)10-5/h6-11,14H2,1-5H3.
What are the key properties of 3,4,4-triethylheptan-3-amine?
3,4,4-triethylheptan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-triethylheptan-3-amine is sourced from PubChem (CID 23616495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).