2-(cyclopropylmethyl)butanediamide

C8H14N2O2 — CID 21468650

IUPAC2-(cyclopropylmethyl)butanediamide
SMILESNC(=O)CC(CC1CC1)C(N)=O
InChIInChI=1S/C8H14N2O2/c9-7(11)4-6(8(10)12)3-5-1-2-5/h5-6H,1-4H2,(H2,9,11)(H2,10,12)
InChIKeyKGXQHPSVLZVNKT-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.24
Rot. Bonds5

About 2-(cyclopropylmethyl)butanediamide

2-(cyclopropylmethyl)butanediamide (PubChem CID 21468650) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)butanediamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)butanediamide
PubChem CID21468650
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(cyclopropylmethyl)butanediamide
SMILESNC(=O)CC(CC1CC1)C(N)=O
InChIInChI=1S/C8H14N2O2/c9-7(11)4-6(8(10)12)3-5-1-2-5/h5-6H,1-4H2,(H2,9,11)(H2,10,12)
InChIKeyKGXQHPSVLZVNKT-UHFFFAOYSA-N
XLogP-0.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)butanediamide?
The IUPAC name of 2-(cyclopropylmethyl)butanediamide (CID 21468650) is 2-(cyclopropylmethyl)butanediamide.
What is the SMILES notation for 2-(cyclopropylmethyl)butanediamide?
The canonical SMILES for 2-(cyclopropylmethyl)butanediamide is NC(=O)CC(CC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethyl)butanediamide?
The InChIKey is KGXQHPSVLZVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-7(11)4-6(8(10)12)3-5-1-2-5/h5-6H,1-4H2,(H2,9,11)(H2,10,12).
What are the key properties of 2-(cyclopropylmethyl)butanediamide?
2-(cyclopropylmethyl)butanediamide has a molecular weight of 170.21 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)butanediamide is sourced from PubChem (CID 21468650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).