2,3,3-trimethylheptan-2-amine

C10H23N — CID 23195951

IUPAC2,3,3-trimethylheptan-2-amine
SMILESCCCCC(C)(C)C(C)(C)N
InChIInChI=1S/C10H23N/c1-6-7-8-9(2,3)10(4,5)11/h6-8,11H2,1-5H3
InChIKeyOOAOTIINFZEEMR-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.94
Rot. Bonds4

About 2,3,3-trimethylheptan-2-amine

2,3,3-trimethylheptan-2-amine (PubChem CID 23195951) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 2,3,3-trimethylheptan-2-amine.

Molecular Properties

Compound Name2,3,3-trimethylheptan-2-amine
PubChem CID23195951
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name2,3,3-trimethylheptan-2-amine
SMILESCCCCC(C)(C)C(C)(C)N
InChIInChI=1S/C10H23N/c1-6-7-8-9(2,3)10(4,5)11/h6-8,11H2,1-5H3
InChIKeyOOAOTIINFZEEMR-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylheptan-2-amine?
The IUPAC name of 2,3,3-trimethylheptan-2-amine (CID 23195951) is 2,3,3-trimethylheptan-2-amine.
What is the SMILES notation for 2,3,3-trimethylheptan-2-amine?
The canonical SMILES for 2,3,3-trimethylheptan-2-amine is CCCCC(C)(C)C(C)(C)N.
What is the InChIKey of 2,3,3-trimethylheptan-2-amine?
The InChIKey is OOAOTIINFZEEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-7-8-9(2,3)10(4,5)11/h6-8,11H2,1-5H3.
What are the key properties of 2,3,3-trimethylheptan-2-amine?
2,3,3-trimethylheptan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylheptan-2-amine is sourced from PubChem (CID 23195951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).