2-methyl-N-prop-2-enylpropan-2-amine

C7H15N — CID 566539

IUPAC2-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)(C)C
InChIInChI=1S/C7H15N/c1-5-6-8-7(2,3)4/h5,8H,1,6H2,2-4H3
InChIKeyMDFOQCKFSUMLET-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.56
Rot. Bonds2

About 2-methyl-N-prop-2-enylpropan-2-amine

2-methyl-N-prop-2-enylpropan-2-amine (PubChem CID 566539) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpropan-2-amine
PubChem CID566539
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)(C)C
InChIInChI=1S/C7H15N/c1-5-6-8-7(2,3)4/h5,8H,1,6H2,2-4H3
InChIKeyMDFOQCKFSUMLET-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.56
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

Diallylamine
CID 31279
N-Methylallylamine
CID 69391
(Prop-2-en-1-yl)(propan-2-yl)amine
CID 520711
(Prop-2-en-1-yl)(propyl)amine
CID 12397185
Allylethylamine
CID 72885
Allyl-n-butyl-amine
CID 10396843
N-tert-Butyl-3-methylbut-2-en-1-amine
CID 10796846
(Prop-2-en-1-yl)(propan-2-yl)amine hydrochloride
CID 20193692
Ethyl(prop-2-en-1-yl)amine hydrochloride
CID 20193693
(E)-N-propylbut-2-en-1-amine
CID 20460692
Bis(prop-2-enyl)azanium
CID 6992612
2-Buten-1-amine, 3-methyl-N-2-propenyl-
CID 10877117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of 2-methyl-N-prop-2-enylpropan-2-amine (CID 566539) is 2-methyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for 2-methyl-N-prop-2-enylpropan-2-amine is C=CCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enylpropan-2-amine?
The InChIKey is MDFOQCKFSUMLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-5-6-8-7(2,3)4/h5,8H,1,6H2,2-4H3.
What are the key properties of 2-methyl-N-prop-2-enylpropan-2-amine?
2-methyl-N-prop-2-enylpropan-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 566539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).