N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride

C8H16ClN — CID 3072561

IUPACN-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride
SMILESC#CCN(C)CCCC.Cl
InChIInChI=1S/C8H15N.ClH/c1-4-6-8-9(3)7-5-2;/h2H,4,6-8H2,1,3H3;1H
InChIKeyWEYNGLFGYAZCEZ-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride

N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride (PubChem CID 3072561) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride
PubChem CID3072561
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC NameN-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride
SMILESC#CCN(C)CCCC.Cl
InChIInChI=1S/C8H15N.ClH/c1-4-6-8-9(3)7-5-2;/h2H,4,6-8H2,1,3H3;1H
InChIKeyWEYNGLFGYAZCEZ-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-ynylbutan-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride (CID 3072561) is N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride is C#CCN(C)CCCC.Cl.
What is the InChIKey of N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride?
The InChIKey is WEYNGLFGYAZCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-4-6-8-9(3)7-5-2;/h2H,4,6-8H2,1,3H3;1H.
What are the key properties of N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride?
N-methyl-N-prop-2-ynylbutan-1-amine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.77, 4 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-ynylbutan-1-amine;hydrochloride is sourced from PubChem (CID 3072561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).