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

C11H26ClN — CID 23724800

IUPAC6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride
SMILESCC(C)CCCC(C)NC(C)C.Cl
InChIInChI=1S/C11H25N.ClH/c1-9(2)7-6-8-11(5)12-10(3)4;/h9-12H,6-8H2,1-5H3;1H
InChIKeyQYEORIIWGAAORG-UHFFFAOYSA-N
MW207.79 g/mol
LogP3.62
Rot. Bonds6

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

6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride (PubChem CID 23724800) has the molecular formula C11H26ClN and a molecular weight of 207.79 g/mol. Its IUPAC name is 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride
PubChem CID23724800
Molecular FormulaC11H26ClN
Molecular Weight207.79 g/mol
Exact Mass207.18
IUPAC Name6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride
SMILESCC(C)CCCC(C)NC(C)C.Cl
InChIInChI=1S/C11H25N.ClH/c1-9(2)7-6-8-11(5)12-10(3)4;/h9-12H,6-8H2,1-5H3;1H
InChIKeyQYEORIIWGAAORG-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride?
The IUPAC name of 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride (CID 23724800) is 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride.
What is the SMILES notation for 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride?
The canonical SMILES for 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride is CC(C)CCCC(C)NC(C)C.Cl.
What is the InChIKey of 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride?
The InChIKey is QYEORIIWGAAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.ClH/c1-9(2)7-6-8-11(5)12-10(3)4;/h9-12H,6-8H2,1-5H3;1H.
What are the key properties of 6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride?
6-methyl-N-propan-2-ylheptan-2-amine;hydrochloride has a molecular weight of 207.79 g/mol, XLogP of 3.62, 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;hydrochloride is sourced from PubChem (CID 23724800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).