N-methyl-N-prop-1-en-2-ylbutan-1-amine

C8H17N — CID 90395288

IUPACN-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCCC
InChIInChI=1S/C8H17N/c1-5-6-7-9(4)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyMAZYNWOGPSSCDA-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.25
Rot. Bonds4

About N-methyl-N-prop-1-en-2-ylbutan-1-amine

N-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 90395288) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID90395288
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCCC
InChIInChI=1S/C8H17N/c1-5-6-7-9(4)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyMAZYNWOGPSSCDA-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of N-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 90395288) is N-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(C)CCCC.
What is the InChIKey of N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is MAZYNWOGPSSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6-7-9(4)8(2)3/h2,5-7H2,1,3-4H3.
What are the key properties of N-methyl-N-prop-1-en-2-ylbutan-1-amine?
N-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.25, 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-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 90395288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).