azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride

C8H19ClN2 — CID 175381941

IUPACazane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
SMILESC=CCNC(C)(C)C=C.Cl.N
InChIInChI=1S/C8H15N.ClH.H3N/c1-5-7-9-8(3,4)6-2;;/h5-6,9H,1-2,7H2,3-4H3;1H;1H3
InChIKeyHKQUTLWVLZGJFS-UHFFFAOYSA-N
MW178.71 g/mol
LogP2.31
Rot. Bonds4

About azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride

azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride (PubChem CID 175381941) has the molecular formula C8H19ClN2 and a molecular weight of 178.71 g/mol. Its IUPAC name is azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Nameazane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
PubChem CID175381941
Molecular FormulaC8H19ClN2
Molecular Weight178.71 g/mol
Exact Mass178.12
IUPAC Nameazane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
SMILESC=CCNC(C)(C)C=C.Cl.N
InChIInChI=1S/C8H15N.ClH.H3N/c1-5-7-9-8(3,4)6-2;;/h5-6,9H,1-2,7H2,3-4H3;1H;1H3
InChIKeyHKQUTLWVLZGJFS-UHFFFAOYSA-N
XLogP2.31
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-N,1-N'-bis(prop-2-enyl)-1-silylpropane-1,1-diamine
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CID 115600901
1,2,2-trimethoxy-N-prop-2-enyl-1-silylpropan-1-amine
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2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
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N-(2-methoxyethyl)-2-methylbut-3-en-2-amine
CID 163848175
2-methyl-2-(prop-2-enylamino)pentanenitrile
CID 62354657
N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
2-ethyl-2-(prop-2-enylamino)butan-1-ol
CID 62517970
2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
CID 20751100
1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 130618823
2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride
CID 173360794

Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride?
The IUPAC name of azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride (CID 175381941) is azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride.
What is the SMILES notation for azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride?
The canonical SMILES for azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride is C=CCNC(C)(C)C=C.Cl.N.
What is the InChIKey of azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride?
The InChIKey is HKQUTLWVLZGJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH.H3N/c1-5-7-9-8(3,4)6-2;;/h5-6,9H,1-2,7H2,3-4H3;1H;1H3.
What are the key properties of azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride?
azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride has a molecular weight of 178.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride is sourced from PubChem (CID 175381941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).