3-methyl-N-propan-2-ylbut-1-en-2-amine

C8H17N — CID 59489511

IUPAC3-methyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(NC(C)C)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)8(5)9-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyDUIDPAQIGSOVEU-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.15
Rot. Bonds3

About 3-methyl-N-propan-2-ylbut-1-en-2-amine

3-methyl-N-propan-2-ylbut-1-en-2-amine (PubChem CID 59489511) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylbut-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylbut-1-en-2-amine
PubChem CID59489511
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-methyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(NC(C)C)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)8(5)9-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyDUIDPAQIGSOVEU-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-ylbut-1-en-2-amine?
The IUPAC name of 3-methyl-N-propan-2-ylbut-1-en-2-amine (CID 59489511) is 3-methyl-N-propan-2-ylbut-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-propan-2-ylbut-1-en-2-amine?
The canonical SMILES for 3-methyl-N-propan-2-ylbut-1-en-2-amine is C=C(NC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-ylbut-1-en-2-amine?
The InChIKey is DUIDPAQIGSOVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)8(5)9-7(3)4/h6-7,9H,5H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-ylbut-1-en-2-amine?
3-methyl-N-propan-2-ylbut-1-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylbut-1-en-2-amine is sourced from PubChem (CID 59489511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).