4-(propan-2-ylamino)-N-prop-2-enylbutanamide

C10H20N2O — CID 60851636

IUPAC4-(propan-2-ylamino)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCNC(C)C
InChIInChI=1S/C10H20N2O/c1-4-7-12-10(13)6-5-8-11-9(2)3/h4,9,11H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyPSTAYPGZJBFXQE-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.07
Rot. Bonds7

About 4-(propan-2-ylamino)-N-prop-2-enylbutanamide

4-(propan-2-ylamino)-N-prop-2-enylbutanamide (PubChem CID 60851636) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-prop-2-enylbutanamide
PubChem CID60851636
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(propan-2-ylamino)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCNC(C)C
InChIInChI=1S/C10H20N2O/c1-4-7-12-10(13)6-5-8-11-9(2)3/h4,9,11H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyPSTAYPGZJBFXQE-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-prop-2-enylbutanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-prop-2-enylbutanamide (CID 60851636) is 4-(propan-2-ylamino)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-prop-2-enylbutanamide is C=CCNC(=O)CCCNC(C)C.
What is the InChIKey of 4-(propan-2-ylamino)-N-prop-2-enylbutanamide?
The InChIKey is PSTAYPGZJBFXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-7-12-10(13)6-5-8-11-9(2)3/h4,9,11H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 4-(propan-2-ylamino)-N-prop-2-enylbutanamide?
4-(propan-2-ylamino)-N-prop-2-enylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-prop-2-enylbutanamide is sourced from PubChem (CID 60851636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).