N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride

C11H22ClN — CID 22416628

IUPACN-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride
SMILESC#CCN(C)C(C)CCCCC.Cl
InChIInChI=1S/C11H21N.ClH/c1-5-7-8-9-11(3)12(4)10-6-2;/h2,11H,5,7-10H2,1,3-4H3;1H
InChIKeyNBFVGBUUUASREI-UHFFFAOYSA-N
MW203.76 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride

N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride (PubChem CID 22416628) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride
PubChem CID22416628
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC NameN-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride
SMILESC#CCN(C)C(C)CCCCC.Cl
InChIInChI=1S/C11H21N.ClH/c1-5-7-8-9-11(3)12(4)10-6-2;/h2,11H,5,7-10H2,1,3-4H3;1H
InChIKeyNBFVGBUUUASREI-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride (CID 22416628) is N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride is C#CCN(C)C(C)CCCCC.Cl.
What is the InChIKey of N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride?
The InChIKey is NBFVGBUUUASREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-5-7-8-9-11(3)12(4)10-6-2;/h2,11H,5,7-10H2,1,3-4H3;1H.
What are the key properties of N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride?
N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride is sourced from PubChem (CID 22416628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).