N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide

C10H20N2O — CID 90245574

IUPACN-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
SMILESC=C(C)NC(C)CCN(C)C(C)=O
InChIInChI=1S/C10H20N2O/c1-8(2)11-9(3)6-7-12(5)10(4)13/h9,11H,1,6-7H2,2-5H3
InChIKeyLGNZWDBMWXYYGP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide

N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide (PubChem CID 90245574) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
PubChem CID90245574
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
SMILESC=C(C)NC(C)CCN(C)C(C)=O
InChIInChI=1S/C10H20N2O/c1-8(2)11-9(3)6-7-12(5)10(4)13/h9,11H,1,6-7H2,2-5H3
InChIKeyLGNZWDBMWXYYGP-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide?
The IUPAC name of N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide (CID 90245574) is N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide?
The canonical SMILES for N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide is C=C(C)NC(C)CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide?
The InChIKey is LGNZWDBMWXYYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)11-9(3)6-7-12(5)10(4)13/h9,11H,1,6-7H2,2-5H3.
What are the key properties of N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide?
N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide has a molecular weight of 184.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide is sourced from PubChem (CID 90245574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).