N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride

C10H22ClN — CID 126844480

IUPACN-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride
SMILESC=CCCC(CNC)C(C)C.Cl
InChIInChI=1S/C10H21N.ClH/c1-5-6-7-10(8-11-4)9(2)3;/h5,9-11H,1,6-8H2,2-4H3;1H
InChIKeyOXRNCSQKTYDKJP-UHFFFAOYSA-N
MW191.75 g/mol
LogP2.87
Rot. Bonds6

About N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride

N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride (PubChem CID 126844480) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride
PubChem CID126844480
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC NameN-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride
SMILESC=CCCC(CNC)C(C)C.Cl
InChIInChI=1S/C10H21N.ClH/c1-5-6-7-10(8-11-4)9(2)3;/h5,9-11H,1,6-8H2,2-4H3;1H
InChIKeyOXRNCSQKTYDKJP-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride?
The IUPAC name of N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride (CID 126844480) is N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride?
The canonical SMILES for N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride is C=CCCC(CNC)C(C)C.Cl.
What is the InChIKey of N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride?
The InChIKey is OXRNCSQKTYDKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.ClH/c1-5-6-7-10(8-11-4)9(2)3;/h5,9-11H,1,6-8H2,2-4H3;1H.
What are the key properties of N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride?
N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride has a molecular weight of 191.75 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride is sourced from PubChem (CID 126844480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).