methanamine;3-methylbut-1-ene

C6H15N — CID 161011072

IUPACmethanamine;3-methylbut-1-ene
SMILESC=CC(C)C.CN
InChIInChI=1S/C5H10.CH5N/c1-4-5(2)3;1-2/h4-5H,1H2,2-3H3;2H2,1H3
InChIKeyTXCVMCSIYDOZSR-UHFFFAOYSA-N
MW101.19 g/mol
LogP1.40
Rot. Bonds1

About methanamine;3-methylbut-1-ene

methanamine;3-methylbut-1-ene (PubChem CID 161011072) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is methanamine;3-methylbut-1-ene.

Molecular Properties

Compound Namemethanamine;3-methylbut-1-ene
PubChem CID161011072
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Namemethanamine;3-methylbut-1-ene
SMILESC=CC(C)C.CN
InChIInChI=1S/C5H10.CH5N/c1-4-5(2)3;1-2/h4-5H,1H2,2-3H3;2H2,1H3
InChIKeyTXCVMCSIYDOZSR-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylbut-1-ene;hydrobromide
CID 158395600
ethane;ethene;3-methylbut-1-ene
CID 145381296
methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
(2S)-but-3-en-2-amine
CID 10034575
acetylene;cyclopropane;ethane;3-methylbut-1-ene
CID 144527433
amino-ethenyl-di(propan-2-yl)phosphanium
CID 139466697
3,4-dimethylhexa-1,5-diene
CID 521244
(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene
CID 145400080
methanamine;prop-1-ene
CID 174317036
ethane;3-methylpenta-1,4-diene
CID 144868161
CID 102399593
CID 102399593
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316

Frequently Asked Questions

What is the IUPAC name of methanamine;3-methylbut-1-ene?
The IUPAC name of methanamine;3-methylbut-1-ene (CID 161011072) is methanamine;3-methylbut-1-ene.
What is the SMILES notation for methanamine;3-methylbut-1-ene?
The canonical SMILES for methanamine;3-methylbut-1-ene is C=CC(C)C.CN.
What is the InChIKey of methanamine;3-methylbut-1-ene?
The InChIKey is TXCVMCSIYDOZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.CH5N/c1-4-5(2)3;1-2/h4-5H,1H2,2-3H3;2H2,1H3.
What are the key properties of methanamine;3-methylbut-1-ene?
methanamine;3-methylbut-1-ene has a molecular weight of 101.19 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-methylbut-1-ene is sourced from PubChem (CID 161011072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).