5-methyl-3-propan-2-ylheptan-2-amine

C11H25N — CID 62913811

IUPAC5-methyl-3-propan-2-ylheptan-2-amine
SMILESCCC(C)CC(C(C)C)C(C)N
InChIInChI=1S/C11H25N/c1-6-9(4)7-11(8(2)3)10(5)12/h8-11H,6-7,12H2,1-5H3
InChIKeyFUYKACOCZMCTJT-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.04
Rot. Bonds5

About 5-methyl-3-propan-2-ylheptan-2-amine

5-methyl-3-propan-2-ylheptan-2-amine (PubChem CID 62913811) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 5-methyl-3-propan-2-ylheptan-2-amine.

Molecular Properties

Compound Name5-methyl-3-propan-2-ylheptan-2-amine
PubChem CID62913811
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name5-methyl-3-propan-2-ylheptan-2-amine
SMILESCCC(C)CC(C(C)C)C(C)N
InChIInChI=1S/C11H25N/c1-6-9(4)7-11(8(2)3)10(5)12/h8-11H,6-7,12H2,1-5H3
InChIKeyFUYKACOCZMCTJT-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-ylheptan-2-amine?
The IUPAC name of 5-methyl-3-propan-2-ylheptan-2-amine (CID 62913811) is 5-methyl-3-propan-2-ylheptan-2-amine.
What is the SMILES notation for 5-methyl-3-propan-2-ylheptan-2-amine?
The canonical SMILES for 5-methyl-3-propan-2-ylheptan-2-amine is CCC(C)CC(C(C)C)C(C)N.
What is the InChIKey of 5-methyl-3-propan-2-ylheptan-2-amine?
The InChIKey is FUYKACOCZMCTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-9(4)7-11(8(2)3)10(5)12/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 5-methyl-3-propan-2-ylheptan-2-amine?
5-methyl-3-propan-2-ylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-ylheptan-2-amine is sourced from PubChem (CID 62913811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).