6-methyl-N-propan-2-ylheptan-2-amine

C11H25N — CID 19917

💊View drug profile → iproheptine
IUPAC6-methyl-N-propan-2-ylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)C
InChIInChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyNKGYBXHAQAKSSG-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds6

About 6-methyl-N-propan-2-ylheptan-2-amine

6-methyl-N-propan-2-ylheptan-2-amine (PubChem CID 19917) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 6-methyl-N-propan-2-ylheptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-propan-2-ylheptan-2-amine
PubChem CID19917
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name6-methyl-N-propan-2-ylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)C
InChIInChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyNKGYBXHAQAKSSG-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propan-2-ylheptan-2-amine?
The IUPAC name of 6-methyl-N-propan-2-ylheptan-2-amine (CID 19917) is 6-methyl-N-propan-2-ylheptan-2-amine.
What is the SMILES notation for 6-methyl-N-propan-2-ylheptan-2-amine?
The canonical SMILES for 6-methyl-N-propan-2-ylheptan-2-amine is CC(C)CCCC(C)NC(C)C.
What is the InChIKey of 6-methyl-N-propan-2-ylheptan-2-amine?
The InChIKey is NKGYBXHAQAKSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 6-methyl-N-propan-2-ylheptan-2-amine?
6-methyl-N-propan-2-ylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propan-2-ylheptan-2-amine is sourced from PubChem (CID 19917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).